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

C15H25N — CID 112507884

IUPAC3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
SMILESCCC(C)c1ccc(C(C)CCNC)cc1
InChIInChI=1S/C15H25N/c1-5-12(2)14-6-8-15(9-7-14)13(3)10-11-16-4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyBCBDQBBVWUXICH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.91
Rot. Bonds6

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

3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine (PubChem CID 112507884) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
PubChem CID112507884
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
SMILESCCC(C)c1ccc(C(C)CCNC)cc1
InChIInChI=1S/C15H25N/c1-5-12(2)14-6-8-15(9-7-14)13(3)10-11-16-4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyBCBDQBBVWUXICH-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
CID 65308641
4-butan-2-yl-N-methylaniline
CID 22675641
N'-[(4-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902
3-[(4-butan-2-ylphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 145395900
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one
CID 116915878
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine (CID 112507884) is 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine is CCC(C)c1ccc(C(C)CCNC)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine?
The InChIKey is BCBDQBBVWUXICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-12(2)14-6-8-15(9-7-14)13(3)10-11-16-4/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine?
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 112507884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).