N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine

C17H26ClNO — CID 114981230

IUPACN-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1OC)C1CCCCC1
InChIInChI=1S/C17H26ClNO/c1-3-11-19-17(13-7-5-4-6-8-13)15-10-9-14(18)12-16(15)20-2/h9-10,12-13,17,19H,3-8,11H2,1-2H3
InChIKeyWHDRJWOOCQCTAO-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.97
Rot. Bonds6

About N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine

N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine (PubChem CID 114981230) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
PubChem CID114981230
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1OC)C1CCCCC1
InChIInChI=1S/C17H26ClNO/c1-3-11-19-17(13-7-5-4-6-8-13)15-10-9-14(18)12-16(15)20-2/h9-10,12-13,17,19H,3-8,11H2,1-2H3
InChIKeyWHDRJWOOCQCTAO-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
CID 43494075
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine (CID 114981230) is N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1OC)C1CCCCC1.
What is the InChIKey of N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine?
The InChIKey is WHDRJWOOCQCTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-11-19-17(13-7-5-4-6-8-13)15-10-9-14(18)12-16(15)20-2/h9-10,12-13,17,19H,3-8,11H2,1-2H3.
What are the key properties of N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine?
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine is sourced from PubChem (CID 114981230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).