3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

C16H27N — CID 112705581

IUPAC3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCC(C)Cc1cccc(C(N)CC(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-12(2)9-13-7-6-8-14(10-13)15(17)11-16(3,4)5/h6-8,10,12,15H,9,11,17H2,1-5H3
InChIKeyAMCLIVCBJPELHT-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.32
Rot. Bonds4

About 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (PubChem CID 112705581) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
PubChem CID112705581
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCC(C)Cc1cccc(C(N)CC(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-12(2)9-13-7-6-8-14(10-13)15(17)11-16(3,4)5/h6-8,10,12,15H,9,11,17H2,1-5H3
InChIKeyAMCLIVCBJPELHT-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116661191
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
2-(4-bromophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544590
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050722
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105188050

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (CID 112705581) is 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is CC(C)Cc1cccc(C(N)CC(C)(C)C)c1.
What is the InChIKey of 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is AMCLIVCBJPELHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)9-13-7-6-8-14(10-13)15(17)11-16(3,4)5/h6-8,10,12,15H,9,11,17H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 112705581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).