2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine

C16H27N — CID 105050722

IUPAC2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCCCC(C)C(N)c1cccc(CC(C)C)c1
InChIInChI=1S/C16H27N/c1-5-7-13(4)16(17)15-9-6-8-14(11-15)10-12(2)3/h6,8-9,11-13,16H,5,7,10,17H2,1-4H3
InChIKeyYBLPKEWILXQCPD-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.32
Rot. Bonds6

About 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine

2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine (PubChem CID 105050722) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
PubChem CID105050722
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
SMILESCCCC(C)C(N)c1cccc(CC(C)C)c1
InChIInChI=1S/C16H27N/c1-5-7-13(4)16(17)15-9-6-8-14(11-15)10-12(2)3/h6,8-9,11-13,16H,5,7,10,17H2,1-4H3
InChIKeyYBLPKEWILXQCPD-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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]hexan-3-amine
CID 116545725
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116720818
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
2-methyl-1-(3-nitrophenyl)pentan-1-amine
CID 107886414
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
1-[3-(2-methylpropyl)phenyl]nonylhydrazine
CID 105340725
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The IUPAC name of 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine (CID 105050722) is 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine is CCCC(C)C(N)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
The InChIKey is YBLPKEWILXQCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-13(4)16(17)15-9-6-8-14(11-15)10-12(2)3/h6,8-9,11-13,16H,5,7,10,17H2,1-4H3.
What are the key properties of 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine?
2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine is sourced from PubChem (CID 105050722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).