1-(4-propylphenyl)hexan-2-amine

C15H25N — CID 82255234

IUPAC1-(4-propylphenyl)hexan-2-amine
SMILESCCCCC(N)Cc1ccc(CCC)cc1
InChIInChI=1S/C15H25N/c1-3-5-7-15(16)12-14-10-8-13(6-4-2)9-11-14/h8-11,15H,3-7,12,16H2,1-2H3
InChIKeyVVOZZDBWDBUGDO-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.70
Rot. Bonds7

About 1-(4-propylphenyl)hexan-2-amine

1-(4-propylphenyl)hexan-2-amine (PubChem CID 82255234) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(4-propylphenyl)hexan-2-amine.

Molecular Properties

Compound Name1-(4-propylphenyl)hexan-2-amine
PubChem CID82255234
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(4-propylphenyl)hexan-2-amine
SMILESCCCCC(N)Cc1ccc(CCC)cc1
InChIInChI=1S/C15H25N/c1-3-5-7-15(16)12-14-10-8-13(6-4-2)9-11-14/h8-11,15H,3-7,12,16H2,1-2H3
InChIKeyVVOZZDBWDBUGDO-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-propylphenyl)hexan-2-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-ethylphenyl)undecan-2-amine
CID 115803351
4-(2-aminohexyl)benzonitrile
CID 174547393
4-(2-aminooctyl)phenol
CID 69403996
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-butylphenyl)-3-fluoropropan-2-amine
CID 143418394
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
CID 146224491
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)hexan-2-amine?
The IUPAC name of 1-(4-propylphenyl)hexan-2-amine (CID 82255234) is 1-(4-propylphenyl)hexan-2-amine.
What is the SMILES notation for 1-(4-propylphenyl)hexan-2-amine?
The canonical SMILES for 1-(4-propylphenyl)hexan-2-amine is CCCCC(N)Cc1ccc(CCC)cc1.
What is the InChIKey of 1-(4-propylphenyl)hexan-2-amine?
The InChIKey is VVOZZDBWDBUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-5-7-15(16)12-14-10-8-13(6-4-2)9-11-14/h8-11,15H,3-7,12,16H2,1-2H3.
What are the key properties of 1-(4-propylphenyl)hexan-2-amine?
1-(4-propylphenyl)hexan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)hexan-2-amine is sourced from PubChem (CID 82255234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).