2-(4-butylphenyl)-3-methylbutan-1-amine

C15H25N — CID 112507875

IUPAC2-(4-butylphenyl)-3-methylbutan-1-amine
SMILESCCCCc1ccc(C(CN)C(C)C)cc1
InChIInChI=1S/C15H25N/c1-4-5-6-13-7-9-14(10-8-13)15(11-16)12(2)3/h7-10,12,15H,4-6,11,16H2,1-3H3
InChIKeySFNQVHSRQFPHSF-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.73
Rot. Bonds6

About 2-(4-butylphenyl)-3-methylbutan-1-amine

2-(4-butylphenyl)-3-methylbutan-1-amine (PubChem CID 112507875) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(4-butylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-butylphenyl)-3-methylbutan-1-amine
PubChem CID112507875
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(4-butylphenyl)-3-methylbutan-1-amine
SMILESCCCCc1ccc(C(CN)C(C)C)cc1
InChIInChI=1S/C15H25N/c1-4-5-6-13-7-9-14(10-8-13)15(11-16)12(2)3/h7-10,12,15H,4-6,11,16H2,1-3H3
InChIKeySFNQVHSRQFPHSF-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-amino-1-(4-octylphenyl)ethyl]propane-1,3-diol
CID 142762392
4-methyl-3-(4-propylphenyl)pentan-1-amine
CID 112507881
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
4-(4-butylphenyl)pentan-1-amine
CID 82286120
(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
CID 66517020
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
CID 112512257
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(4-butylphenyl)-3-methylbutan-1-amine (CID 112507875) is 2-(4-butylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4-butylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(4-butylphenyl)-3-methylbutan-1-amine is CCCCc1ccc(C(CN)C(C)C)cc1.
What is the InChIKey of 2-(4-butylphenyl)-3-methylbutan-1-amine?
The InChIKey is SFNQVHSRQFPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-6-13-7-9-14(10-8-13)15(11-16)12(2)3/h7-10,12,15H,4-6,11,16H2,1-3H3.
What are the key properties of 2-(4-butylphenyl)-3-methylbutan-1-amine?
2-(4-butylphenyl)-3-methylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 112507875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).