N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline

C17H26F2N2 — CID 63954399

IUPACN-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
SMILESCCN(CC1CC1)c1c(F)cc(CNCC(C)C)cc1F
InChIInChI=1S/C17H26F2N2/c1-4-21(11-13-5-6-13)17-15(18)7-14(8-16(17)19)10-20-9-12(2)3/h7-8,12-13,20H,4-6,9-11H2,1-3H3
InChIKeyWADZOEGRWUCXNR-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.95
Rot. Bonds8

About N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline

N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63954399) has the molecular formula C17H26F2N2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63954399
Molecular FormulaC17H26F2N2
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
SMILESCCN(CC1CC1)c1c(F)cc(CNCC(C)C)cc1F
InChIInChI=1S/C17H26F2N2/c1-4-21(11-13-5-6-13)17-15(18)7-14(8-16(17)19)10-20-9-12(2)3/h7-8,12-13,20H,4-6,9-11H2,1-3H3
InChIKeyWADZOEGRWUCXNR-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63956847
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80636161
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070
2,6-difluoro-N-methyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63552445
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63941047
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline (CID 63954399) is N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline is CCN(CC1CC1)c1c(F)cc(CNCC(C)C)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is WADZOEGRWUCXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-4-21(11-13-5-6-13)17-15(18)7-14(8-16(17)19)10-20-9-12(2)3/h7-8,12-13,20H,4-6,9-11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline?
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 296.41 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63954399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).