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

C18H22ClNO2 — CID 4716036

IUPAC2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO2/c1-2-16(12-21)20-11-14-6-5-8-17(10-14)22-13-15-7-3-4-9-18(15)19/h3-10,16,20-21H,2,11-13H2,1H3
InChIKeySRRTZUFJSDKPLK-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.78
Rot. Bonds8

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

2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 4716036) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID4716036
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO2/c1-2-16(12-21)20-11-14-6-5-8-17(10-14)22-13-15-7-3-4-9-18(15)19/h3-10,16,20-21H,2,11-13H2,1H3
InChIKeySRRTZUFJSDKPLK-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993135
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 66530649
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716004

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 4716036) is 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol is CCC(CO)NCc1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is SRRTZUFJSDKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-2-16(12-21)20-11-14-6-5-8-17(10-14)22-13-15-7-3-4-9-18(15)19/h3-10,16,20-21H,2,11-13H2,1H3.
What are the key properties of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 319.83 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 4716036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).