1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine

C21H20ClNO — CID 174674361

IUPAC1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H20ClNO/c1-15(23)20-11-10-18(13-21(20)22)17-8-5-9-19(12-17)24-14-16-6-3-2-4-7-16/h2-13,15H,14,23H2,1H3
InChIKeyBYNCROZRWZANDO-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.61
Rot. Bonds5

About 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine

1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine (PubChem CID 174674361) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
PubChem CID174674361
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H20ClNO/c1-15(23)20-11-10-18(13-21(20)22)17-8-5-9-19(12-17)24-14-16-6-3-2-4-7-16/h2-13,15H,14,23H2,1H3
InChIKeyBYNCROZRWZANDO-UHFFFAOYSA-N
XLogP5.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine
CID 116545336
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
3-amino-3-(2-chloro-4-phenylmethoxyphenyl)propan-1-ol
CID 139696671
2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene
CID 166899428
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
5-chloro-6-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 166595361
2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene
CID 91251080
1-[3,4-bis(phenylmethoxy)-2-[2-(3-phenylmethoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride
CID 23044073
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine (CID 174674361) is 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine is CC(N)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine?
The InChIKey is BYNCROZRWZANDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-15(23)20-11-10-18(13-21(20)22)17-8-5-9-19(12-17)24-14-16-6-3-2-4-7-16/h2-13,15H,14,23H2,1H3.
What are the key properties of 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine?
1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine has a molecular weight of 337.85 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 174674361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).