N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine

C20H33N — CID 65303003

IUPACN-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
SMILESCCCc1ccc(CCC2(CCNC)CCCCC2)cc1
InChIInChI=1S/C20H33N/c1-3-7-18-8-10-19(11-9-18)12-15-20(16-17-21-2)13-5-4-6-14-20/h8-11,21H,3-7,12-17H2,1-2H3
InChIKeyHFOMMUVBYHFVDP-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.13
Rot. Bonds8

About N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine

N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine (PubChem CID 65303003) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
PubChem CID65303003
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
SMILESCCCc1ccc(CCC2(CCNC)CCCCC2)cc1
InChIInChI=1S/C20H33N/c1-3-7-18-8-10-19(11-9-18)12-15-20(16-17-21-2)13-5-4-6-14-20/h8-11,21H,3-7,12-17H2,1-2H3
InChIKeyHFOMMUVBYHFVDP-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304957
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462
N-ethyl-2-[1-[2-(4-propan-2-ylphenyl)ethyl]cyclopentyl]ethanamine
CID 65303793
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65303673
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
1-ethynyl-4-[2-(1-propylcyclohexyl)ethyl]benzene
CID 57126613
2-[1-[2-(4,5-dibromothiophen-2-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 80535027
2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303142
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene
CID 57060475
2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303461

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine?
The IUPAC name of N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine (CID 65303003) is N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine is CCCc1ccc(CCC2(CCNC)CCCCC2)cc1.
What is the InChIKey of N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine?
The InChIKey is HFOMMUVBYHFVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-7-18-8-10-19(11-9-18)12-15-20(16-17-21-2)13-5-4-6-14-20/h8-11,21H,3-7,12-17H2,1-2H3.
What are the key properties of N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine?
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine is sourced from PubChem (CID 65303003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).