N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride

C19H22Cl2FNO — CID 2950069

IUPACN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1ccc(Cl)cc1CNC1CCCC1
InChIInChI=1S/C19H21ClFNO.ClH/c20-16-9-10-19(23-13-14-5-1-4-8-18(14)21)15(11-16)12-22-17-6-2-3-7-17;/h1,4-5,8-11,17,22H,2-3,6-7,12-13H2;1H
InChIKeyYKYCTLVAASQWQP-UHFFFAOYSA-N
MW370.30 g/mol
LogP5.51
Rot. Bonds6

About N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride (PubChem CID 2950069) has the molecular formula C19H22Cl2FNO and a molecular weight of 370.30 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
PubChem CID2950069
Molecular FormulaC19H22Cl2FNO
Molecular Weight370.30 g/mol
Exact Mass369.11
IUPAC NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1ccc(Cl)cc1CNC1CCCC1
InChIInChI=1S/C19H21ClFNO.ClH/c20-16-9-10-19(23-13-14-5-1-4-8-18(14)21)15(11-16)12-22-17-6-2-3-7-17;/h1,4-5,8-11,17,22H,2-3,6-7,12-13H2;1H
InChIKeyYKYCTLVAASQWQP-UHFFFAOYSA-N
XLogP5.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158933
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 66529378
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834252
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 4721792
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291343
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride (CID 2950069) is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride is Cl.Fc1ccccc1COc1ccc(Cl)cc1CNC1CCCC1.
What is the InChIKey of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride?
The InChIKey is YKYCTLVAASQWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO.ClH/c20-16-9-10-19(23-13-14-5-1-4-8-18(14)21)15(11-16)12-22-17-6-2-3-7-17;/h1,4-5,8-11,17,22H,2-3,6-7,12-13H2;1H.
What are the key properties of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride?
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride has a molecular weight of 370.30 g/mol, XLogP of 5.51, 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-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 2950069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).