N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine

C17H26ClN — CID 63863652

IUPACN-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1CCCCC1CC
InChIInChI=1S/C17H26ClN/c1-3-13-9-5-6-10-14(13)17(19-4-2)15-11-7-8-12-16(15)18/h7-8,11-14,17,19H,3-6,9-10H2,1-2H3
InChIKeyXEZVVSZMGZTDTL-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.21
Rot. Bonds5

About N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine

N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine (PubChem CID 63863652) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
PubChem CID63863652
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC NameN-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1CCCCC1CC
InChIInChI=1S/C17H26ClN/c1-3-13-9-5-6-10-14(13)17(19-4-2)15-11-7-8-12-16(15)18/h7-8,11-14,17,19H,3-6,9-10H2,1-2H3
InChIKeyXEZVVSZMGZTDTL-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 107968322
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106857704
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105099639
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 63862559
N-[(2-ethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105151189
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
3-[ethylamino-(2-ethylcyclohexyl)methyl]-N,N-dimethylaniline
CID 105151275
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
1-(2-ethoxyphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115533850
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine (CID 63863652) is N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine is CCNC(c1ccccc1Cl)C1CCCCC1CC.
What is the InChIKey of N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is XEZVVSZMGZTDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-13-9-5-6-10-14(13)17(19-4-2)15-11-7-8-12-16(15)18/h7-8,11-14,17,19H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine?
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 279.85 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63863652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).