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

C15H25N — CID 43097162

IUPAC1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
SMILESCCC(C)c1ccc(C(N)CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-12(4)13-6-8-14(9-7-13)15(16)10-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyDDOBCRUZKKUPMH-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.25
Rot. Bonds5

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

1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine (PubChem CID 43097162) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
PubChem CID43097162
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
SMILESCCC(C)c1ccc(C(N)CC(C)C)cc1
InChIInChI=1S/C15H25N/c1-5-12(4)13-6-8-14(9-7-13)15(16)10-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyDDOBCRUZKKUPMH-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302
4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
4-[(1S)-1-amino-3-methylbutyl]-N,N-diethylaniline;hydrochloride
CID 171227543
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine (CID 43097162) is 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine is CCC(C)c1ccc(C(N)CC(C)C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine?
The InChIKey is DDOBCRUZKKUPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-12(4)13-6-8-14(9-7-13)15(16)10-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine?
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.25, 5 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)-3-methylbutan-1-amine is sourced from PubChem (CID 43097162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).