2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride

C18H23Cl2NO2 — CID 17290202

IUPAC2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-2-17(12-21)20-11-15-4-3-5-18(10-15)22-13-14-6-8-16(19)9-7-14;/h3-10,17,20-21H,2,11-13H2,1H3;1H
InChIKeyYYRJEETYKRNJAP-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.20
Rot. Bonds8

About 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride

2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride (PubChem CID 17290202) has the molecular formula C18H23Cl2NO2 and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
PubChem CID17290202
Molecular FormulaC18H23Cl2NO2
Molecular Weight356.29 g/mol
Exact Mass355.11
IUPAC Name2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-2-17(12-21)20-11-15-4-3-5-18(10-15)22-13-14-6-8-16(19)9-7-14;/h3-10,17,20-21H,2,11-13H2,1H3;1H
InChIKeyYYRJEETYKRNJAP-UHFFFAOYSA-N
XLogP4.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 17290191
(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993135
(2S)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]butan-1-ol
CID 40726401
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211167
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride (CID 17290202) is 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1.Cl.
What is the InChIKey of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride?
The InChIKey is YYRJEETYKRNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2.ClH/c1-2-17(12-21)20-11-15-4-3-5-18(10-15)22-13-14-6-8-16(19)9-7-14;/h3-10,17,20-21H,2,11-13H2,1H3;1H.
What are the key properties of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride?
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride has a molecular weight of 356.29 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 17290202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).