2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine

C19H31N — CID 116545566

IUPAC2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccc(CC(C)C)c1
InChIInChI=1S/C19H31N/c1-4-12-20-19-11-6-5-10-18(19)17-9-7-8-16(14-17)13-15(2)3/h7-9,14-15,18-20H,4-6,10-13H2,1-3H3
InChIKeyUCLCIJRQVLWYOT-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds6

About 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine

2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine (PubChem CID 116545566) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
PubChem CID116545566
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccc(CC(C)C)c1
InChIInChI=1S/C19H31N/c1-4-12-20-19-11-6-5-10-18(19)17-9-7-8-16(14-17)13-15(2)3/h7-9,14-15,18-20H,4-6,10-13H2,1-3H3
InChIKeyUCLCIJRQVLWYOT-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
CID 116546483
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 63511320
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
CID 21260489
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine (CID 116545566) is 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1c1cccc(CC(C)C)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine?
The InChIKey is UCLCIJRQVLWYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-12-20-19-11-6-5-10-18(19)17-9-7-8-16(14-17)13-15(2)3/h7-9,14-15,18-20H,4-6,10-13H2,1-3H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine?
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 116545566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).