3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen

C10H22N2 — CID 144618265

IUPAC3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
SMILESCC.CNc1cccc(CN)c1.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C2H6.2H2/c1-10-8-4-2-3-7(5-8)6-9;1-2;;/h2-5,10H,6,9H2,1H3;1-2H3;2*1H
InChIKeyVTPLRKIIIHROSH-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.71
Rot. Bonds2

About 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen

3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen (PubChem CID 144618265) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
PubChem CID144618265
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
SMILESCC.CNc1cccc(CN)c1.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C2H6.2H2/c1-10-8-4-2-3-7(5-8)6-9;1-2;;/h2-5,10H,6,9H2,1H3;1-2H3;2*1H
InChIKeyVTPLRKIIIHROSH-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen 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)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
3-(bromomethyl)-N-methylaniline
CID 147410245
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
3-(methoxymethyl)-N-methylaniline
CID 23080905
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
[3-(methylamino)phenyl]methanesulfonamide
CID 71121973
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
2-[3-(aminomethyl)anilino]-N-methylacetamide
CID 144916665

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen?
The IUPAC name of 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen (CID 144618265) is 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen.
What is the SMILES notation for 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen?
The canonical SMILES for 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen is CC.CNc1cccc(CN)c1.[H][H].[H][H].
What is the InChIKey of 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen?
The InChIKey is VTPLRKIIIHROSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6.2H2/c1-10-8-4-2-3-7(5-8)6-9;1-2;;/h2-5,10H,6,9H2,1H3;1-2H3;2*1H.
What are the key properties of 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen?
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen has a molecular weight of 170.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen is sourced from PubChem (CID 144618265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).