1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine

C17H24F2N2O3 — CID 119124665

IUPAC1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
SMILESCOc1cc(CNCC2CN(C3CC3)CCO2)ccc1OC(F)F
InChIInChI=1S/C17H24F2N2O3/c1-22-16-8-12(2-5-15(16)24-17(18)19)9-20-10-14-11-21(6-7-23-14)13-3-4-13/h2,5,8,13-14,17,20H,3-4,6-7,9-11H2,1H3
InChIKeyNFXWRDFWEAGBDS-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.25
Rot. Bonds8

About 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine

1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine (PubChem CID 119124665) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
PubChem CID119124665
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
SMILESCOc1cc(CNCC2CN(C3CC3)CCO2)ccc1OC(F)F
InChIInChI=1S/C17H24F2N2O3/c1-22-16-8-12(2-5-15(16)24-17(18)19)9-20-10-14-11-21(6-7-23-14)13-3-4-13/h2,5,8,13-14,17,20H,3-4,6-7,9-11H2,1H3
InChIKeyNFXWRDFWEAGBDS-UHFFFAOYSA-N
XLogP2.25
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine with MolForge

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Related Compounds

1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 119124637
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
CID 124545838
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 119124636
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
CID 119124635
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 124690614
3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine (CID 119124665) is 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine is COc1cc(CNCC2CN(C3CC3)CCO2)ccc1OC(F)F.
What is the InChIKey of 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine?
The InChIKey is NFXWRDFWEAGBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-22-16-8-12(2-5-15(16)24-17(18)19)9-20-10-14-11-21(6-7-23-14)13-3-4-13/h2,5,8,13-14,17,20H,3-4,6-7,9-11H2,1H3.
What are the key properties of 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine?
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine has a molecular weight of 342.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine is sourced from PubChem (CID 119124665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).