[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride

C20H18Cl2FNO — CID 176508497

IUPAC[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cc(F)cc(Cl)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17ClFNO.ClH/c21-17-9-16(10-18(22)11-17)19-7-6-15(12-23)8-20(19)24-13-14-4-2-1-3-5-14;/h1-11H,12-13,23H2;1H
InChIKeyHIOJMXMBXBKHMK-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.61
Rot. Bonds5

About [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride

[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride (PubChem CID 176508497) has the molecular formula C20H18Cl2FNO and a molecular weight of 378.27 g/mol. Its IUPAC name is [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
PubChem CID176508497
Molecular FormulaC20H18Cl2FNO
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cc(F)cc(Cl)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17ClFNO.ClH/c21-17-9-16(10-18(22)11-17)19-7-6-15(12-23)8-20(19)24-13-14-4-2-1-3-5-14;/h1-11H,12-13,23H2;1H
InChIKeyHIOJMXMBXBKHMK-UHFFFAOYSA-N
XLogP5.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
[4-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508465
[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508425
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650028
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
CID 67455707
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride (CID 176508497) is [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2cc(F)cc(Cl)c2)c(OCc2ccccc2)c1.
What is the InChIKey of [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The InChIKey is HIOJMXMBXBKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO.ClH/c21-17-9-16(10-18(22)11-17)19-7-6-15(12-23)8-20(19)24-13-14-4-2-1-3-5-14;/h1-11H,12-13,23H2;1H.
What are the key properties of [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride has a molecular weight of 378.27 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 [4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 176508497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).