N-[2-(4-chlorophenoxy)propyl]cyclohexanamine

C15H22ClNO — CID 46736216

IUPACN-[2-(4-chlorophenoxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-12(11-17-14-5-3-2-4-6-14)18-15-9-7-13(16)8-10-15/h7-10,12,14,17H,2-6,11H2,1H3
InChIKeyKQKPXZCVEUXFKA-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(4-chlorophenoxy)propyl]cyclohexanamine

N-[2-(4-chlorophenoxy)propyl]cyclohexanamine (PubChem CID 46736216) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]cyclohexanamine
PubChem CID46736216
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[2-(4-chlorophenoxy)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-12(11-17-14-5-3-2-4-6-14)18-15-9-7-13(16)8-10-15/h7-10,12,14,17H,2-6,11H2,1H3
InChIKeyKQKPXZCVEUXFKA-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]cyclohexanamine (CID 46736216) is N-[2-(4-chlorophenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]cyclohexanamine is CC(CNC1CCCCC1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]cyclohexanamine?
The InChIKey is KQKPXZCVEUXFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12(11-17-14-5-3-2-4-6-14)18-15-9-7-13(16)8-10-15/h7-10,12,14,17H,2-6,11H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)propyl]cyclohexanamine?
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine has a molecular weight of 267.80 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 46736216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).