1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol

C24H25Cl2NO — CID 14368686

IUPAC1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
SMILESCC(Cc1ccc(Cc2ccc(Cl)cc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C24H25Cl2NO/c1-17(27-16-24(28)21-3-2-4-23(26)15-21)13-18-5-7-19(8-6-18)14-20-9-11-22(25)12-10-20/h2-12,15,17,24,27-28H,13-14,16H2,1H3
InChIKeyAWFMFVZRHSDGNO-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.84
Rot. Bonds8

About 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol (PubChem CID 14368686) has the molecular formula C24H25Cl2NO and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
PubChem CID14368686
Molecular FormulaC24H25Cl2NO
Molecular Weight414.38 g/mol
Exact Mass413.13
IUPAC Name1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
SMILESCC(Cc1ccc(Cc2ccc(Cl)cc2)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C24H25Cl2NO/c1-17(27-16-24(28)21-3-2-4-23(26)15-21)13-18-5-7-19(8-6-18)14-20-9-11-22(25)12-10-20/h2-12,15,17,24,27-28H,13-14,16H2,1H3
InChIKeyAWFMFVZRHSDGNO-UHFFFAOYSA-N
XLogP5.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
(1R)-1-(3-chlorophenyl)-2-[[(2S)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol
CID 44522746
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol;hydrobromide
CID 44522760
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
(E)-3-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]prop-2-enamide
CID 88735044
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
CID 6918146
[2-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]methyl]phenyl] ethyl carbonate
CID 67847911
sodium;[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]methylphosphonic acid;hydride
CID 173322441

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol (CID 14368686) is 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol is CC(Cc1ccc(Cc2ccc(Cl)cc2)cc1)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol?
The InChIKey is AWFMFVZRHSDGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2NO/c1-17(27-16-24(28)21-3-2-4-23(26)15-21)13-18-5-7-19(8-6-18)14-20-9-11-22(25)12-10-20/h2-12,15,17,24,27-28H,13-14,16H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol has a molecular weight of 414.38 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol is sourced from PubChem (CID 14368686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).