N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride

C19H23Cl2NO — CID 17289738

IUPACN-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(CNC2CCCC2)c1
InChIInChI=1S/C19H22ClNO.ClH/c20-17-10-11-19(22-14-15-6-2-1-3-7-15)16(12-17)13-21-18-8-4-5-9-18;/h1-3,6-7,10-12,18,21H,4-5,8-9,13-14H2;1H
InChIKeyPHNHVWGLIUKMMX-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.37
Rot. Bonds6

About N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride (PubChem CID 17289738) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
PubChem CID17289738
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(CNC2CCCC2)c1
InChIInChI=1S/C19H22ClNO.ClH/c20-17-10-11-19(22-14-15-6-2-1-3-7-15)16(12-17)13-21-18-8-4-5-9-18;/h1-3,6-7,10-12,18,21H,4-5,8-9,13-14H2;1H
InChIKeyPHNHVWGLIUKMMX-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158349
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride (CID 17289738) is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride is Cl.Clc1ccc(OCc2ccccc2)c(CNC2CCCC2)c1.
What is the InChIKey of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
The InChIKey is PHNHVWGLIUKMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO.ClH/c20-17-10-11-19(22-14-15-6-2-1-3-7-15)16(12-17)13-21-18-8-4-5-9-18;/h1-3,6-7,10-12,18,21H,4-5,8-9,13-14H2;1H.
What are the key properties of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride?
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride has a molecular weight of 352.31 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 17289738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).