N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine

C17H26ClNO — CID 81032180

IUPACN-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc(Cl)ccc1OC
InChIInChI=1S/C17H26ClNO/c1-4-19-11-13-6-5-12(2)9-15(13)16-10-14(18)7-8-17(16)20-3/h7-8,10,12-13,15,19H,4-6,9,11H2,1-3H3
InChIKeyWLFXLYHNYQGKSY-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.48
Rot. Bonds5

About N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine

N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 81032180) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
PubChem CID81032180
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc(Cl)ccc1OC
InChIInChI=1S/C17H26ClNO/c1-4-19-11-13-6-5-12(2)9-15(13)16-10-14(18)7-8-17(16)20-3/h7-8,10,12-13,15,19H,4-6,9,11H2,1-3H3
InChIKeyWLFXLYHNYQGKSY-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81034269
N-[[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 82772303
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81032114
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81031795
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631
N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81033287
N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033499
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine (CID 81032180) is N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1c1cc(Cl)ccc1OC.
What is the InChIKey of N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is WLFXLYHNYQGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-19-11-13-6-5-12(2)9-15(13)16-10-14(18)7-8-17(16)20-3/h7-8,10,12-13,15,19H,4-6,9,11H2,1-3H3.
What are the key properties of N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81032180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).