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

C19H24ClNO2 — CID 17211516

IUPAC5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO2/c20-18-8-4-17(5-9-18)15-23-19-10-6-16(7-11-19)14-21-12-2-1-3-13-22/h4-11,21-22H,1-3,12-15H2
InChIKeyIJAUKHZHJBGSKJ-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.17
Rot. Bonds10

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

5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol (PubChem CID 17211516) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
PubChem CID17211516
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClNO2/c20-18-8-4-17(5-9-18)15-23-19-10-6-16(7-11-19)14-21-12-2-1-3-13-22/h4-11,21-22H,1-3,12-15H2
InChIKeyIJAUKHZHJBGSKJ-UHFFFAOYSA-N
XLogP4.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.17
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-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211513
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517
3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
CID 47000639
N',N'-dibutyl-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214465
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720085
2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214038
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol (CID 17211516) is 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol is OCCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol?
The InChIKey is IJAUKHZHJBGSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c20-18-8-4-17(5-9-18)15-23-19-10-6-16(7-11-19)14-21-12-2-1-3-13-22/h4-11,21-22H,1-3,12-15H2.
What are the key properties of 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol?
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol has a molecular weight of 333.86 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 17211516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).