4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline

C18H24N2 — CID 81273880

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
SMILESCc1cc(N(C)CCCc2ccccc2)ccc1CN
InChIInChI=1S/C18H24N2/c1-15-13-18(11-10-17(15)14-19)20(2)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14,19H2,1-2H3
InChIKeyJKIBTKDNSOSATR-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.52
Rot. Bonds6

About 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline

4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline (PubChem CID 81273880) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
PubChem CID81273880
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
SMILESCc1cc(N(C)CCCc2ccccc2)ccc1CN
InChIInChI=1S/C18H24N2/c1-15-13-18(11-10-17(15)14-19)20(2)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14,19H2,1-2H3
InChIKeyJKIBTKDNSOSATR-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.52
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

4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
CID 114238540
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 43587097
2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
CID 114242987
2-[2-amino-5-[methyl(3-phenylpropyl)amino]phenyl]acetonitrile
CID 102623928
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline (CID 81273880) is 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline is Cc1cc(N(C)CCCc2ccccc2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline?
The InChIKey is JKIBTKDNSOSATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-13-18(11-10-17(15)14-19)20(2)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline?
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline has a molecular weight of 268.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 81273880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).