1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine

C17H29N — CID 43496585

IUPAC1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1ccc(CC)cc1
InChIInChI=1S/C17H29N/c1-6-12-18-16(13-17(3,4)5)15-10-8-14(7-2)9-11-15/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyWKTAHHSHQYJGLW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.73
Rot. Bonds6

About 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine

1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 43496585) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID43496585
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1ccc(CC)cc1
InChIInChI=1S/C17H29N/c1-6-12-18-16(13-17(3,4)5)15-10-8-14(7-2)9-11-15/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyWKTAHHSHQYJGLW-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205
N'-ethyl-1-(4-ethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63467155
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (CID 43496585) is 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)C)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is WKTAHHSHQYJGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-12-18-16(13-17(3,4)5)15-10-8-14(7-2)9-11-15/h8-11,16,18H,6-7,12-13H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 43496585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).