4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol

C16H18ClNO2 — CID 103292031

IUPAC4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1cccc(Cl)c1CNC(C)c1ccc(O)cc1
InChIInChI=1S/C16H18ClNO2/c1-11(12-6-8-13(19)9-7-12)18-10-14-15(17)4-3-5-16(14)20-2/h3-9,11,18-19H,10H2,1-2H3
InChIKeyLMYMHTPXIVACFO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.90
Rot. Bonds5

About 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol

4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol (PubChem CID 103292031) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
PubChem CID103292031
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1cccc(Cl)c1CNC(C)c1ccc(O)cc1
InChIInChI=1S/C16H18ClNO2/c1-11(12-6-8-13(19)9-7-12)18-10-14-15(17)4-3-5-16(14)20-2/h3-9,11,18-19H,10H2,1-2H3
InChIKeyLMYMHTPXIVACFO-UHFFFAOYSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167845992
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 103291840
N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 103291891

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol (CID 103292031) is 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol is COc1cccc(Cl)c1CNC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol?
The InChIKey is LMYMHTPXIVACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(12-6-8-13(19)9-7-12)18-10-14-15(17)4-3-5-16(14)20-2/h3-9,11,18-19H,10H2,1-2H3.
What are the key properties of 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol?
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol has a molecular weight of 291.78 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 103292031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).