2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline

C17H21FN2 — CID 79517983

IUPAC2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
SMILESCCCN(Cc1ccccc1)c1cccc(F)c1CN
InChIInChI=1S/C17H21FN2/c1-2-11-20(13-14-7-4-3-5-8-14)17-10-6-9-16(18)15(17)12-19/h3-10H,2,11-13,19H2,1H3
InChIKeyKARREMGJZAQRRZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.70
Rot. Bonds6

About 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline

2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline (PubChem CID 79517983) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
PubChem CID79517983
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
SMILESCCCN(Cc1ccccc1)c1cccc(F)c1CN
InChIInChI=1S/C17H21FN2/c1-2-11-20(13-14-7-4-3-5-8-14)17-10-6-9-16(18)15(17)12-19/h3-10H,2,11-13,19H2,1H3
InChIKeyKARREMGJZAQRRZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
CID 79515815
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 79516687
N-benzyl-N-propylaniline
CID 14671265
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
N'-(2-fluorophenyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 28771458
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine
CID 61096421
2-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 106264357

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline?
The IUPAC name of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline (CID 79517983) is 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline is CCCN(Cc1ccccc1)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline?
The InChIKey is KARREMGJZAQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-2-11-20(13-14-7-4-3-5-8-14)17-10-6-9-16(18)15(17)12-19/h3-10H,2,11-13,19H2,1H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline?
2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline is sourced from PubChem (CID 79517983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).