N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine

C15H22ClNO — CID 65125325

IUPACN-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
SMILESClc1cccc(COCCCNC2CCCC2)c1
InChIInChI=1S/C15H22ClNO/c16-14-6-3-5-13(11-14)12-18-10-4-9-17-15-7-1-2-8-15/h3,5-6,11,15,17H,1-2,4,7-10,12H2
InChIKeyAFCBXBRXKSHAKJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.78
Rot. Bonds7

About N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine

N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine (PubChem CID 65125325) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
PubChem CID65125325
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
SMILESClc1cccc(COCCCNC2CCCC2)c1
InChIInChI=1S/C15H22ClNO/c16-14-6-3-5-13(11-14)12-18-10-4-9-17-15-7-1-2-8-15/h3,5-6,11,15,17H,1-2,4,7-10,12H2
InChIKeyAFCBXBRXKSHAKJ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine
CID 65124979
N-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]cyclopentanamine
CID 63516390
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine?
The IUPAC name of N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine (CID 65125325) is N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine.
What is the SMILES notation for N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine?
The canonical SMILES for N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine is Clc1cccc(COCCCNC2CCCC2)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine?
The InChIKey is AFCBXBRXKSHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-14-6-3-5-13(11-14)12-18-10-4-9-17-15-7-1-2-8-15/h3,5-6,11,15,17H,1-2,4,7-10,12H2.
What are the key properties of N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine?
N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine has a molecular weight of 267.80 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine is sourced from PubChem (CID 65125325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).