1-(4-butan-2-ylphenyl)pentan-3-amine

C15H25N — CID 112513140

IUPAC1-(4-butan-2-ylphenyl)pentan-3-amine
SMILESCCC(N)CCc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H25N/c1-4-12(3)14-9-6-13(7-10-14)8-11-15(16)5-2/h6-7,9-10,12,15H,4-5,8,11,16H2,1-3H3
InChIKeyPANKSMLCQICJDY-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.87
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)pentan-3-amine

1-(4-butan-2-ylphenyl)pentan-3-amine (PubChem CID 112513140) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)pentan-3-amine
PubChem CID112513140
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(4-butan-2-ylphenyl)pentan-3-amine
SMILESCCC(N)CCc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H25N/c1-4-12(3)14-9-6-13(7-10-14)8-11-15(16)5-2/h6-7,9-10,12,15H,4-5,8,11,16H2,1-3H3
InChIKeyPANKSMLCQICJDY-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-4-(4-butan-2-ylphenyl)butanoic acid
CID 112511842
6-(4-ethylphenyl)heptan-3-amine
CID 83922585
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196909
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
3-N-[2-(4-butan-2-ylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040444
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302
2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261083

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)pentan-3-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)pentan-3-amine (CID 112513140) is 1-(4-butan-2-ylphenyl)pentan-3-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)pentan-3-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)pentan-3-amine is CCC(N)CCc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)pentan-3-amine?
The InChIKey is PANKSMLCQICJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-12(3)14-9-6-13(7-10-14)8-11-15(16)5-2/h6-7,9-10,12,15H,4-5,8,11,16H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)pentan-3-amine?
1-(4-butan-2-ylphenyl)pentan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)pentan-3-amine is sourced from PubChem (CID 112513140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).