N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine

C19H22ClNO — CID 4715574

IUPACN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
SMILESClc1ccccc1COc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C19H22ClNO/c20-19-8-4-1-5-16(19)14-22-18-11-9-15(10-12-18)13-21-17-6-2-3-7-17/h1,4-5,8-12,17,21H,2-3,6-7,13-14H2
InChIKeyKIIZHOLENWVHKU-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.95
Rot. Bonds6

About N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine (PubChem CID 4715574) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
PubChem CID4715574
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
SMILESClc1ccccc1COc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C19H22ClNO/c20-19-8-4-1-5-16(19)14-22-18-11-9-15(10-12-18)13-21-17-6-2-3-7-17/h1,4-5,8-12,17,21H,2-3,6-7,13-14H2
InChIKeyKIIZHOLENWVHKU-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27137747
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158799
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine (CID 4715574) is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine is Clc1ccccc1COc1ccc(CNC2CCCC2)cc1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine?
The InChIKey is KIIZHOLENWVHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-19-8-4-1-5-16(19)14-22-18-11-9-15(10-12-18)13-21-17-6-2-3-7-17/h1,4-5,8-12,17,21H,2-3,6-7,13-14H2.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine?
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine has a molecular weight of 315.84 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 4715574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).