2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol

C16H18ClNO2 — CID 115634728

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1cccc(Cl)c1CNCC(O)c1ccccc1
InChIInChI=1S/C16H18ClNO2/c1-20-16-9-5-8-14(17)13(16)10-18-11-15(19)12-6-3-2-4-7-12/h2-9,15,18-19H,10-11H2,1H3
InChIKeyCTOJWPPAOUREHL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.17
Rot. Bonds6

About 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol

2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 115634728) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
PubChem CID115634728
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1cccc(Cl)c1CNCC(O)c1ccccc1
InChIInChI=1S/C16H18ClNO2/c1-20-16-9-5-8-14(17)13(16)10-18-11-15(19)12-6-3-2-4-7-12/h2-9,15,18-19H,10-11H2,1H3
InChIKeyCTOJWPPAOUREHL-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
(1S)-2-[[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 51988676
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 113238189
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472
(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51994921
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 27153591

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol (CID 115634728) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol is COc1cccc(Cl)c1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is CTOJWPPAOUREHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-20-16-9-5-8-14(17)13(16)10-18-11-15(19)12-6-3-2-4-7-12/h2-9,15,18-19H,10-11H2,1H3.
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol?
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 291.78 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 115634728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).