3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline

C18H24N2 — CID 105139782

IUPAC3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)CCCc2ccccc2)c1
InChIInChI=1S/C18H24N2/c1-20(2)17-12-7-11-16(14-17)18(19)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14,18H,6,10,13,19H2,1-2H3
InChIKeyDUOOCILZEKJXAW-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.78
Rot. Bonds6

About 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline

3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline (PubChem CID 105139782) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
PubChem CID105139782
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)CCCc2ccccc2)c1
InChIInChI=1S/C18H24N2/c1-20(2)17-12-7-11-16(14-17)18(19)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14,18H,6,10,13,19H2,1-2H3
InChIKeyDUOOCILZEKJXAW-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348
3-(1-aminohex-5-ynyl)-N,N-dimethylaniline
CID 105179526
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
CID 105089022
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline?
The IUPAC name of 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline (CID 105139782) is 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline is CN(C)c1cccc(C(N)CCCc2ccccc2)c1.
What is the InChIKey of 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline?
The InChIKey is DUOOCILZEKJXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-20(2)17-12-7-11-16(14-17)18(19)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14,18H,6,10,13,19H2,1-2H3.
What are the key properties of 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline?
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline is sourced from PubChem (CID 105139782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).