4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline

C16H20N2 — CID 66481798

IUPAC4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline
SMILESCc1cc(CN)ccc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H20N2/c1-12-10-13(11-17)4-9-16(12)14-5-7-15(8-6-14)18(2)3/h4-10H,11,17H2,1-3H3
InChIKeyUSCYNMDNNYRBSQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.19
Rot. Bonds3

About 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline

4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline (PubChem CID 66481798) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline
PubChem CID66481798
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline
SMILESCc1cc(CN)ccc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H20N2/c1-12-10-13(11-17)4-9-16(12)14-5-7-15(8-6-14)18(2)3/h4-10H,11,17H2,1-3H3
InChIKeyUSCYNMDNNYRBSQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline (CID 66481798) is 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline is Cc1cc(CN)ccc1-c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline?
The InChIKey is USCYNMDNNYRBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-10-13(11-17)4-9-16(12)14-5-7-15(8-6-14)18(2)3/h4-10H,11,17H2,1-3H3.
What are the key properties of 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline?
4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline is sourced from PubChem (CID 66481798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).