(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride

C21H22ClNO — CID 171391010

IUPAC(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1cccc(-c2ccc(OCc3ccccc3)cc2)c1.Cl
InChIInChI=1S/C21H21NO.ClH/c1-16(22)19-8-5-9-20(14-19)18-10-12-21(13-11-18)23-15-17-6-3-2-4-7-17;/h2-14,16H,15,22H2,1H3;1H/t16-;/m1./s1
InChIKeyAAMUBHFAEYFEJV-PKLMIRHRSA-N
MW339.87 g/mol
LogP5.37
Rot. Bonds5

About (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride

(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride (PubChem CID 171391010) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
PubChem CID171391010
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1cccc(-c2ccc(OCc3ccccc3)cc2)c1.Cl
InChIInChI=1S/C21H21NO.ClH/c1-16(22)19-8-5-9-20(14-19)18-10-12-21(13-11-18)23-15-17-6-3-2-4-7-17;/h2-14,16H,15,22H2,1H3;1H/t16-;/m1./s1
InChIKeyAAMUBHFAEYFEJV-PKLMIRHRSA-N
XLogP5.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.87
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 174674361
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride (CID 171391010) is (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride is C[C@@H](N)c1cccc(-c2ccc(OCc3ccccc3)cc2)c1.Cl.
What is the InChIKey of (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride?
The InChIKey is AAMUBHFAEYFEJV-PKLMIRHRSA-N. The full InChI is InChI=1S/C21H21NO.ClH/c1-16(22)19-8-5-9-20(14-19)18-10-12-21(13-11-18)23-15-17-6-3-2-4-7-17;/h2-14,16H,15,22H2,1H3;1H/t16-;/m1./s1.
What are the key properties of (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride?
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).