5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride

C19H25Cl2NO2 — CID 17211517

IUPAC5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
SMILESCl.OCCCCCNCc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClNO2.ClH/c20-19-7-3-2-6-17(19)15-23-18-10-8-16(9-11-18)14-21-12-4-1-5-13-22;/h2-3,6-11,21-22H,1,4-5,12-15H2;1H
InChIKeyJLSVYXCYFBDDIH-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.59
Rot. Bonds10

About 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride

5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride (PubChem CID 17211517) has the molecular formula C19H25Cl2NO2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
PubChem CID17211517
Molecular FormulaC19H25Cl2NO2
Molecular Weight370.32 g/mol
Exact Mass369.13
IUPAC Name5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
SMILESCl.OCCCCCNCc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClNO2.ClH/c20-19-7-3-2-6-17(19)15-23-18-10-8-16(9-11-18)14-21-12-4-1-5-13-22;/h2-3,6-11,21-22H,1,4-5,12-15H2;1H
InChIKeyJLSVYXCYFBDDIH-UHFFFAOYSA-N
XLogP4.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292552
5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211513
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 17211516
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214038
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211541
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6461106
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride?
The IUPAC name of 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride (CID 17211517) is 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride.
What is the SMILES notation for 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride?
The canonical SMILES for 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride is Cl.OCCCCCNCc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride?
The InChIKey is JLSVYXCYFBDDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2.ClH/c20-19-7-3-2-6-17(19)15-23-18-10-8-16(9-11-18)14-21-12-4-1-5-13-22;/h2-3,6-11,21-22H,1,4-5,12-15H2;1H.
What are the key properties of 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride?
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride has a molecular weight of 370.32 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride is sourced from PubChem (CID 17211517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).