N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride

C31H32Cl2FNO — CID 20540388

IUPACN-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride
SMILESCC(Cc1ccc(OCc2ccc(Cl)cc2)c(F)c1)NCCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C31H31ClFNO.ClH/c1-23(34-19-18-29(26-8-4-2-5-9-26)27-10-6-3-7-11-27)20-25-14-17-31(30(33)21-25)35-22-24-12-15-28(32)16-13-24;/h2-17,21,23,29,34H,18-20,22H2,1H3;1H
InChIKeyOYZNLJQLEKBPPV-UHFFFAOYSA-N
MW524.51 g/mol
LogP8.22
Rot. Bonds11

About N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride

N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride (PubChem CID 20540388) has the molecular formula C31H32Cl2FNO and a molecular weight of 524.51 g/mol. Its IUPAC name is N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride
PubChem CID20540388
Molecular FormulaC31H32Cl2FNO
Molecular Weight524.51 g/mol
Exact Mass523.18
IUPAC NameN-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride
SMILESCC(Cc1ccc(OCc2ccc(Cl)cc2)c(F)c1)NCCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C31H31ClFNO.ClH/c1-23(34-19-18-29(26-8-4-2-5-9-26)27-10-6-3-7-11-27)20-25-14-17-31(30(33)21-25)35-22-24-12-15-28(32)16-13-24;/h2-17,21,23,29,34H,18-20,22H2,1H3;1H
InChIKeyOYZNLJQLEKBPPV-UHFFFAOYSA-N
XLogP8.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.51
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride with MolForge

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Related Compounds

(Z)-but-2-enedioic acid;N-[1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-yl]-3,3-diphenylpropan-1-amine
CID 70621235
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
(Z)-but-2-enedioic acid;4-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(3,3-diphenylpropyl)butan-2-amine
CID 70540145
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211095
(1R)-1-(3-chlorophenyl)-2-[[(2S)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol
CID 44522746
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride?
The IUPAC name of N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride (CID 20540388) is N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride is CC(Cc1ccc(OCc2ccc(Cl)cc2)c(F)c1)NCCC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride?
The InChIKey is OYZNLJQLEKBPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClFNO.ClH/c1-23(34-19-18-29(26-8-4-2-5-9-26)27-10-6-3-7-11-27)20-25-14-17-31(30(33)21-25)35-22-24-12-15-28(32)16-13-24;/h2-17,21,23,29,34H,18-20,22H2,1H3;1H.
What are the key properties of N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride?
N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride has a molecular weight of 524.51 g/mol, XLogP of 8.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 20540388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).