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

C10H16N2 — CID 47003536

IUPAC3-(aminomethyl)-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(CN)c1
InChIInChI=1S/C10H16N2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8,12H,7,11H2,1-2H3
InChIKeyVWVCYCPZNSEDRX-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.97
Rot. Bonds3

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

3-(aminomethyl)-N-propan-2-ylaniline (PubChem CID 47003536) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-propan-2-ylaniline
PubChem CID47003536
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-(aminomethyl)-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc(CN)c1
InChIInChI=1S/C10H16N2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8,12H,7,11H2,1-2H3
InChIKeyVWVCYCPZNSEDRX-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-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

3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
2-[3-(aminomethyl)anilino]propan-1-ol
CID 102813984
2-[3-(aminomethyl)anilino]propanoic acid
CID 174745837
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
(3-propan-2-ylphenyl)methanamine
CID 21085835

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propan-2-ylaniline?
The IUPAC name of 3-(aminomethyl)-N-propan-2-ylaniline (CID 47003536) is 3-(aminomethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-propan-2-ylaniline?
The canonical SMILES for 3-(aminomethyl)-N-propan-2-ylaniline is CC(C)Nc1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-propan-2-ylaniline?
The InChIKey is VWVCYCPZNSEDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-propan-2-ylaniline?
3-(aminomethyl)-N-propan-2-ylaniline has a molecular weight of 164.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 47003536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).