2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol

C16H18ClNO2 — CID 4721972

IUPAC2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
SMILESOCCNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2/c17-15-5-1-14(2-6-15)12-20-16-7-3-13(4-8-16)11-18-9-10-19/h1-8,18-19H,9-12H2
InChIKeyKSZHSVIGMTYTAO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.00
Rot. Bonds7

About 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol

2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol (PubChem CID 4721972) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
PubChem CID4721972
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
SMILESOCCNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2/c17-15-5-1-14(2-6-15)12-20-16-7-3-13(4-8-16)11-18-9-10-19/h1-8,18-19H,9-12H2
InChIKeyKSZHSVIGMTYTAO-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.00
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

acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 17211516
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 146309825
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
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
N',N'-dibutyl-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214465
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol (CID 4721972) is 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol is OCCNCc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
The InChIKey is KSZHSVIGMTYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-15-5-1-14(2-6-15)12-20-16-7-3-13(4-8-16)11-18-9-10-19/h1-8,18-19H,9-12H2.
What are the key properties of 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol?
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 4721972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).