2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline

C17H22N2 — CID 62306578

IUPAC2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
SMILESCCc1ccc(N(C)c2cc(C)ccc2CN)cc1
InChIInChI=1S/C17H22N2/c1-4-14-6-9-16(10-7-14)19(3)17-11-13(2)5-8-15(17)12-18/h5-11H,4,12,18H2,1-3H3
InChIKeyZOLXXUILLRRFTI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.78
Rot. Bonds4

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

2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline (PubChem CID 62306578) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
PubChem CID62306578
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
SMILESCCc1ccc(N(C)c2cc(C)ccc2CN)cc1
InChIInChI=1S/C17H22N2/c1-4-14-6-9-16(10-7-14)19(3)17-11-13(2)5-8-15(17)12-18/h5-11H,4,12,18H2,1-3H3
InChIKeyZOLXXUILLRRFTI-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline?
The IUPAC name of 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline (CID 62306578) is 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline is CCc1ccc(N(C)c2cc(C)ccc2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline?
The InChIKey is ZOLXXUILLRRFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14-6-9-16(10-7-14)19(3)17-11-13(2)5-8-15(17)12-18/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline?
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline is sourced from PubChem (CID 62306578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).