1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride

C21H20Cl2FNO — CID 17292549

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H19ClFNO.ClH/c22-19-7-1-18(2-8-19)15-25-21-11-5-17(6-12-21)14-24-13-16-3-9-20(23)10-4-16;/h1-12,24H,13-15H2;1H
InChIKeyBDWSAKLZRFNDBH-UHFFFAOYSA-N
MW392.30 g/mol
LogP5.77
Rot. Bonds7

About 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride (PubChem CID 17292549) has the molecular formula C21H20Cl2FNO and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
PubChem CID17292549
Molecular FormulaC21H20Cl2FNO
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H19ClFNO.ClH/c22-19-7-1-18(2-8-19)15-25-21-11-5-17(6-12-21)14-24-13-16-3-9-20(23)10-4-16;/h1-12,24H,13-15H2;1H
InChIKeyBDWSAKLZRFNDBH-UHFFFAOYSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine
CID 2993502
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride (CID 17292549) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride is Cl.Fc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride?
The InChIKey is BDWSAKLZRFNDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO.ClH/c22-19-7-1-18(2-8-19)15-25-21-11-5-17(6-12-21)14-24-13-16-3-9-20(23)10-4-16;/h1-12,24H,13-15H2;1H.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride has a molecular weight of 392.30 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17292549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).