2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine

C20H33N — CID 43101166

IUPAC2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
SMILESCC(C)Cc1ccc(C(C)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C20H33N/c1-14(2)13-18-9-11-19(12-10-18)17(5)21-20-8-6-7-15(3)16(20)4/h9-12,14-17,20-21H,6-8,13H2,1-5H3
InChIKeyVPGICOWCNSKLEE-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds5

About 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine

2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine (PubChem CID 43101166) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
PubChem CID43101166
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
SMILESCC(C)Cc1ccc(C(C)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C20H33N/c1-14(2)13-18-9-11-19(12-10-18)17(5)21-20-8-6-7-15(3)16(20)4/h9-12,14-17,20-21H,6-8,13H2,1-5H3
InChIKeyVPGICOWCNSKLEE-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
CID 64922146
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine
CID 64908890
N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43080246
cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 95377359

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine (CID 43101166) is 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine is CC(C)Cc1ccc(C(C)NC2CCCC(C)C2C)cc1.
What is the InChIKey of 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine?
The InChIKey is VPGICOWCNSKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-14(2)13-18-9-11-19(12-10-18)17(5)21-20-8-6-7-15(3)16(20)4/h9-12,14-17,20-21H,6-8,13H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine?
2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43101166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).