N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine

C17H27N — CID 81028814

IUPACN-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N/c1-13(2)14-8-10-15(11-9-14)17-7-5-4-6-16(17)12-18-3/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeyGNBYZFWTMLSUDV-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.30
Rot. Bonds4

About N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine

N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine (PubChem CID 81028814) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
PubChem CID81028814
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N/c1-13(2)14-8-10-15(11-9-14)17-7-5-4-6-16(17)12-18-3/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeyGNBYZFWTMLSUDV-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropyl]methanamine
CID 94558404
1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027973
1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81028545
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
CID 81017888
N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63509813
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028647
1-[2-(4-fluoro-3-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 81034558
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine (CID 81028814) is N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine is CNCC1CCCCC1c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine?
The InChIKey is GNBYZFWTMLSUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)14-8-10-15(11-9-14)17-7-5-4-6-16(17)12-18-3/h8-11,13,16-18H,4-7,12H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine?
N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81028814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).