5-(aminomethyl)-2,4-dimethylaniline

C9H14N2 — CID 13465101

IUPAC5-(aminomethyl)-2,4-dimethylaniline
SMILESCc1cc(C)c(CN)cc1N
InChIInChI=1S/C9H14N2/c1-6-3-7(2)9(11)4-8(6)5-10/h3-4H,5,10-11H2,1-2H3
InChIKeySPFHKJDEDYQBAF-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.34
Rot. Bonds1

About 5-(aminomethyl)-2,4-dimethylaniline

5-(aminomethyl)-2,4-dimethylaniline (PubChem CID 13465101) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dimethylaniline.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dimethylaniline
PubChem CID13465101
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-(aminomethyl)-2,4-dimethylaniline
SMILESCc1cc(C)c(CN)cc1N
InChIInChI=1S/C9H14N2/c1-6-3-7(2)9(11)4-8(6)5-10/h3-4H,5,10-11H2,1-2H3
InChIKeySPFHKJDEDYQBAF-UHFFFAOYSA-N
XLogP1.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.34
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

5-(aminomethyl)-2,3,4-trimethylaniline
CID 23346989
(4-bromo-5-iodo-2-methylphenyl)methanamine
CID 171018168
(5-bromo-4-iodo-2-methylphenyl)methanamine
CID 171018435
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
2-(4-aminobutyl)-5-methylbenzene-1,4-diamine
CID 129127389
(6-bromo-3-methylnaphthalen-2-yl)methanamine
CID 20595135
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
4-amino-2-ethyl-5-methylphenol
CID 105429592
(2-bromo-4,5-dimethylphenyl)methanamine
CID 82627715
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
4-(aminomethyl)-2-methylaniline
CID 18727732
(2,4-dimethylphenyl)methanamine;propane
CID 143780972

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dimethylaniline?
The IUPAC name of 5-(aminomethyl)-2,4-dimethylaniline (CID 13465101) is 5-(aminomethyl)-2,4-dimethylaniline.
What is the SMILES notation for 5-(aminomethyl)-2,4-dimethylaniline?
The canonical SMILES for 5-(aminomethyl)-2,4-dimethylaniline is Cc1cc(C)c(CN)cc1N.
What is the InChIKey of 5-(aminomethyl)-2,4-dimethylaniline?
The InChIKey is SPFHKJDEDYQBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-3-7(2)9(11)4-8(6)5-10/h3-4H,5,10-11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,4-dimethylaniline?
5-(aminomethyl)-2,4-dimethylaniline has a molecular weight of 150.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dimethylaniline is sourced from PubChem (CID 13465101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).