2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline

C17H21FN2 — CID 79515468

IUPAC2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccccc1)c1cccc(F)c1CN
InChIInChI=1S/C17H21FN2/c1-13(2)20(12-14-7-4-3-5-8-14)17-10-6-9-16(18)15(17)11-19/h3-10,13H,11-12,19H2,1-2H3
InChIKeyGVOQVKWKIAQUEK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.70
Rot. Bonds5

About 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline

2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline (PubChem CID 79515468) 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-propan-2-ylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
PubChem CID79515468
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccccc1)c1cccc(F)c1CN
InChIInChI=1S/C17H21FN2/c1-13(2)20(12-14-7-4-3-5-8-14)17-10-6-9-16(18)15(17)11-19/h3-10,13H,11-12,19H2,1-2H3
InChIKeyGVOQVKWKIAQUEK-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline 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

2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
CID 63784223
N-benzyl-3-fluoro-2-nitro-N-propan-2-ylaniline
CID 62665423
2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
CID 79517983
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
CID 63050914
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916
2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine
CID 66102006
2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
CID 79515815
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-[benzyl(propan-2-yl)amino]benzonitrile
CID 29273370

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline?
The IUPAC name of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline (CID 79515468) is 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline is CC(C)N(Cc1ccccc1)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline?
The InChIKey is GVOQVKWKIAQUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(2)20(12-14-7-4-3-5-8-14)17-10-6-9-16(18)15(17)11-19/h3-10,13H,11-12,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline?
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.70, 5 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-propan-2-ylaniline is sourced from PubChem (CID 79515468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).