4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline

C18H24N2 — CID 81273319

IUPAC4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
SMILESCCc1ccc(CN(C)c2ccc(CN)c(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-4-15-5-7-16(8-6-15)13-20(3)18-10-9-17(12-19)14(2)11-18/h5-11H,4,12-13,19H2,1-3H3
InChIKeyJTCBSPNFDIITRQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.65
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline

4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline (PubChem CID 81273319) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
PubChem CID81273319
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
SMILESCCc1ccc(CN(C)c2ccc(CN)c(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-4-15-5-7-16(8-6-15)13-20(3)18-10-9-17(12-19)14(2)11-18/h5-11H,4,12-13,19H2,1-3H3
InChIKeyJTCBSPNFDIITRQ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395
4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylaniline
CID 107081032
4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline (CID 81273319) is 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline is CCc1ccc(CN(C)c2ccc(CN)c(C)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline?
The InChIKey is JTCBSPNFDIITRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-15-5-7-16(8-6-15)13-20(3)18-10-9-17(12-19)14(2)11-18/h5-11H,4,12-13,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline?
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 81273319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).