N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine

C16H24ClNO — CID 63499759

IUPACN-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-2-10-18-12-13-8-9-16(15(17)11-13)19-14-6-4-3-5-7-14/h8-9,11,14,18H,2-7,10,12H2,1H3
InChIKeyJSHKNPXOCZRDJY-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.55
Rot. Bonds6

About N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine

N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine (PubChem CID 63499759) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
PubChem CID63499759
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-2-10-18-12-13-8-9-16(15(17)11-13)19-14-6-4-3-5-7-14/h8-9,11,14,18H,2-7,10,12H2,1H3
InChIKeyJSHKNPXOCZRDJY-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
N-[(3-chloro-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 114619759
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
N-[(3-chloro-4-cyclohexylsulfanylphenyl)methyl]propan-1-amine
CID 81159400
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 65365864
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 81151267
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine (CID 63499759) is N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OC2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine?
The InChIKey is JSHKNPXOCZRDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-10-18-12-13-8-9-16(15(17)11-13)19-14-6-4-3-5-7-14/h8-9,11,14,18H,2-7,10,12H2,1H3.
What are the key properties of N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine?
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63499759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).