5-(aminomethyl)-2,3,4-trimethylaniline

C10H16N2 — CID 23346989

IUPAC5-(aminomethyl)-2,3,4-trimethylaniline
SMILESCc1c(N)cc(CN)c(C)c1C
InChIInChI=1S/C10H16N2/c1-6-7(2)9(5-11)4-10(12)8(6)3/h4H,5,11-12H2,1-3H3
InChIKeyWPAVIDDSCRWHFU-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.65
Rot. Bonds1

About 5-(aminomethyl)-2,3,4-trimethylaniline

5-(aminomethyl)-2,3,4-trimethylaniline (PubChem CID 23346989) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3,4-trimethylaniline.

Molecular Properties

Compound Name5-(aminomethyl)-2,3,4-trimethylaniline
PubChem CID23346989
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-(aminomethyl)-2,3,4-trimethylaniline
SMILESCc1c(N)cc(CN)c(C)c1C
InChIInChI=1S/C10H16N2/c1-6-7(2)9(5-11)4-10(12)8(6)3/h4H,5,11-12H2,1-3H3
InChIKeyWPAVIDDSCRWHFU-UHFFFAOYSA-N
XLogP1.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.65
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)-2,4-dimethylaniline
CID 13465101
(3,5-dichloro-2-methylphenyl)methanamine
CID 121228387
(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917
2-amino-6-(aminomethyl)-4-methylphenol
CID 82417085
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
4-amino-6-(aminomethyl)benzene-1,3-diol
CID 154288362
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
(5-bromo-3-iodo-2-methylphenyl)methanamine
CID 171018365
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
3,5-bis(aminomethyl)-2,4-dimethoxyaniline
CID 23346962
5-(aminomethyl)-2-bromo-3,6-dimethylphenol
CID 84793496
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3,4-trimethylaniline?
The IUPAC name of 5-(aminomethyl)-2,3,4-trimethylaniline (CID 23346989) is 5-(aminomethyl)-2,3,4-trimethylaniline.
What is the SMILES notation for 5-(aminomethyl)-2,3,4-trimethylaniline?
The canonical SMILES for 5-(aminomethyl)-2,3,4-trimethylaniline is Cc1c(N)cc(CN)c(C)c1C.
What is the InChIKey of 5-(aminomethyl)-2,3,4-trimethylaniline?
The InChIKey is WPAVIDDSCRWHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-7(2)9(5-11)4-10(12)8(6)3/h4H,5,11-12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2,3,4-trimethylaniline?
5-(aminomethyl)-2,3,4-trimethylaniline has a molecular weight of 164.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3,4-trimethylaniline is sourced from PubChem (CID 23346989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).