2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine

C16H18ClNO2 — CID 82353296

IUPAC2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2ccc(CCN)cc2)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-19-16-7-4-13(10-15(16)17)11-20-14-5-2-12(3-6-14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyPPLPVUUDYXWLRM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.43
Rot. Bonds6

About 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine

2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 82353296) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID82353296
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2ccc(CCN)cc2)cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-19-16-7-4-13(10-15(16)17)11-20-14-5-2-12(3-6-14)8-9-18/h2-7,10H,8-9,11,18H2,1H3
InChIKeyPPLPVUUDYXWLRM-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
CID 11666965
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
CID 134244114
2-[4-[(4-chloro-3-ethylphenoxy)methyl]phenyl]ethanamine
CID 105350803
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
2-[2-(3-chloro-4-methoxyphenyl)ethylsulfanyl]ethanamine
CID 94769585
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine (CID 82353296) is 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine is COc1ccc(COc2ccc(CCN)cc2)cc1Cl.
What is the InChIKey of 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is PPLPVUUDYXWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-16-7-4-13(10-15(16)17)11-20-14-5-2-12(3-6-14)8-9-18/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82353296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).