(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine

C22H32F2N2O3 — CID 110173535

IUPAC(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
SMILESCCC(CC)(OC)C1CCCN1/N=C/c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C22H32F2N2O3/c1-4-22(5-2,27-3)20-7-6-12-26(20)25-14-17-10-11-18(29-21(23)24)19(13-17)28-15-16-8-9-16/h10-11,13-14,16,20-21H,4-9,12,15H2,1-3H3/b25-14+
InChIKeySSWAUBRJDAIOSO-AFUMVMLFSA-N
MW410.51 g/mol
LogP5.08
Rot. Bonds11

About (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine

(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine (PubChem CID 110173535) has the molecular formula C22H32F2N2O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
PubChem CID110173535
Molecular FormulaC22H32F2N2O3
Molecular Weight410.51 g/mol
Exact Mass410.24
IUPAC Name(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
SMILESCCC(CC)(OC)C1CCCN1/N=C/c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C22H32F2N2O3/c1-4-22(5-2,27-3)20-7-6-12-26(20)25-14-17-10-11-18(29-21(23)24)19(13-17)28-15-16-8-9-16/h10-11,13-14,16,20-21H,4-9,12,15H2,1-3H3/b25-14+
InChIKeySSWAUBRJDAIOSO-AFUMVMLFSA-N
XLogP5.08
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]benzoic acid
CID 175575580
1-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354113
3-(2-cyclohexylethyl)-4-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9293782
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
CID 174834345
N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
CID 169091031
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol
CID 68754552
3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1-prop-1-en-2-ylpyrrolidine
CID 166820280
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
ethyl 6-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]pyridine-2-carboxylate
CID 166521132

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
The IUPAC name of (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine (CID 110173535) is (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine is CCC(CC)(OC)C1CCCN1/N=C/c1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
The InChIKey is SSWAUBRJDAIOSO-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H32F2N2O3/c1-4-22(5-2,27-3)20-7-6-12-26(20)25-14-17-10-11-18(29-21(23)24)19(13-17)28-15-16-8-9-16/h10-11,13-14,16,20-21H,4-9,12,15H2,1-3H3/b25-14+.
What are the key properties of (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine has a molecular weight of 410.51 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 110173535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).