4-(aminomethyl)-2-methylaniline

C8H12N2 — CID 18727732

IUPAC4-(aminomethyl)-2-methylaniline
SMILESCc1cc(CN)ccc1N
InChIInChI=1S/C8H12N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5,9-10H2,1H3
InChIKeyKECXPMLVCMSECK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.04
Rot. Bonds1

About 4-(aminomethyl)-2-methylaniline

4-(aminomethyl)-2-methylaniline (PubChem CID 18727732) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylaniline
PubChem CID18727732
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-(aminomethyl)-2-methylaniline
SMILESCc1cc(CN)ccc1N
InChIInChI=1S/C8H12N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5,9-10H2,1H3
InChIKeyKECXPMLVCMSECK-UHFFFAOYSA-N
XLogP1.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.04
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

4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
4-(chloromethyl)-2-methylaniline
CID 15510059
4-(aminomethyl)-2-N-methylbenzene-1,2-diamine
CID 89230941
(4-hydrazinyl-3-methylphenyl)methanamine
CID 155688664
4-[2-[4-[5-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]pentyl]phenyl]ethyl]-2-methylaniline
CID 139903302
1-(4-amino-3-methylphenyl)-3-chloropropan-2-one
CID 118838029
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
4-[[4-[14-[4-[(4-amino-3-methylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-2-methylaniline
CID 22920596
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
4-[[4-[16-[4-[(4-amino-3-methylphenyl)methyl]phenyl]hexadecyl]phenyl]methyl]-2-methylaniline
CID 22919944

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-methylaniline (CID 18727732) is 4-(aminomethyl)-2-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-methylaniline is Cc1cc(CN)ccc1N.
What is the InChIKey of 4-(aminomethyl)-2-methylaniline?
The InChIKey is KECXPMLVCMSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5,9-10H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methylaniline?
4-(aminomethyl)-2-methylaniline has a molecular weight of 136.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylaniline is sourced from PubChem (CID 18727732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).