N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine

C19H31N — CID 81029457

IUPACN-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2cccc(C)c2)C1
InChIInChI=1S/C19H31N/c1-4-7-16-10-11-18(14-20-5-2)19(13-16)17-9-6-8-15(3)12-17/h6,8-9,12,16,18-20H,4-5,7,10-11,13-14H2,1-3H3
InChIKeyOVBLDPCHQVCGCI-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.90
Rot. Bonds6

About N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine

N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 81029457) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
PubChem CID81029457
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(c2cccc(C)c2)C1
InChIInChI=1S/C19H31N/c1-4-7-16-10-11-18(14-20-5-2)19(13-16)17-9-6-8-15(3)12-17/h6,8-9,12,16,18-20H,4-5,7,10-11,13-14H2,1-3H3
InChIKeyOVBLDPCHQVCGCI-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81033727
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
CID 115375691
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
N-[[2-(3-methoxypyrazin-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 104516834

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine (CID 81029457) is N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(c2cccc(C)c2)C1.
What is the InChIKey of N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is OVBLDPCHQVCGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-7-16-10-11-18(14-20-5-2)19(13-16)17-9-6-8-15(3)12-17/h6,8-9,12,16,18-20H,4-5,7,10-11,13-14H2,1-3H3.
What are the key properties of N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).