N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C19H31N — CID 81024275

IUPACN-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C2CCCCC2CNCC(C)C)cc1
InChIInChI=1S/C19H31N/c1-4-16-9-11-17(12-10-16)19-8-6-5-7-18(19)14-20-13-15(2)3/h9-12,15,18-20H,4-8,13-14H2,1-3H3
InChIKeyIVHPIGKMPZCFNW-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.77
Rot. Bonds6

About N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81024275) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81024275
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C2CCCCC2CNCC(C)C)cc1
InChIInChI=1S/C19H31N/c1-4-16-9-11-17(12-10-16)19-8-6-5-7-18(19)14-20-13-15(2)3/h9-12,15,18-20H,4-8,13-14H2,1-3H3
InChIKeyIVHPIGKMPZCFNW-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81028545
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81025825
N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
CID 115375678

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81024275) is N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CCc1ccc(C2CCCCC2CNCC(C)C)cc1.
What is the InChIKey of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IVHPIGKMPZCFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-16-9-11-17(12-10-16)19-8-6-5-7-18(19)14-20-13-15(2)3/h9-12,15,18-20H,4-8,13-14H2,1-3H3.
What are the key properties of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81024275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).