3-(aminomethyl)aniline

C7H10N2 — CID 4628831

IUPAC3-(aminomethyl)aniline
SMILESNCc1cccc(N)c1
InChIInChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2
InChIKeyZDBWYUOUYNQZBM-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.73
Rot. Bonds1

About 3-(aminomethyl)aniline

3-(aminomethyl)aniline (PubChem CID 4628831) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-(aminomethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)aniline
PubChem CID4628831
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-(aminomethyl)aniline
SMILESNCc1cccc(N)c1
InChIInChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2
InChIKeyZDBWYUOUYNQZBM-UHFFFAOYSA-N
XLogP0.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
p-Toluidine
CID 7813
3,4-Diaminotoluene
CID 10332
2,6-Diaminotoluene
CID 13205
2,3-Diaminotoluene
CID 17593
2,5-Diaminotoluene
CID 7252
3,5-Dimethylaniline
CID 7949
3,4-Dimethylaniline
CID 7248
2,5-Dimethylaniline
CID 7259
m-Toluidine
CID 7934
3-(Trifluoromethyl)aniline
CID 7375

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)aniline?
The IUPAC name of 3-(aminomethyl)aniline (CID 4628831) is 3-(aminomethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)aniline?
The canonical SMILES for 3-(aminomethyl)aniline is NCc1cccc(N)c1.
What is the InChIKey of 3-(aminomethyl)aniline?
The InChIKey is ZDBWYUOUYNQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2.
What are the key properties of 3-(aminomethyl)aniline?
3-(aminomethyl)aniline has a molecular weight of 122.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)aniline is sourced from PubChem (CID 4628831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).