4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol

C24H25Cl2NO — CID 22345532

IUPAC4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol
SMILESCN(CCCc1ccc(O)cc1)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl2NO/c1-24(19-7-11-21(25)12-8-19,20-9-13-22(26)14-10-20)27(2)17-3-4-18-5-15-23(28)16-6-18/h5-16,28H,3-4,17H2,1-2H3
InChIKeyIWHMHKTVPLFMBS-UHFFFAOYSA-N
MW414.38 g/mol
LogP6.53
Rot. Bonds7

About 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol

4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol (PubChem CID 22345532) has the molecular formula C24H25Cl2NO and a molecular weight of 414.38 g/mol. Its IUPAC name is 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol
PubChem CID22345532
Molecular FormulaC24H25Cl2NO
Molecular Weight414.38 g/mol
Exact Mass413.13
IUPAC Name4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol
SMILESCN(CCCc1ccc(O)cc1)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl2NO/c1-24(19-7-11-21(25)12-8-19,20-9-13-22(26)14-10-20)27(2)17-3-4-18-5-15-23(28)16-6-18/h5-16,28H,3-4,17H2,1-2H3
InChIKeyIWHMHKTVPLFMBS-UHFFFAOYSA-N
XLogP6.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1,1-bis(4-chlorophenyl)ethyl]-N-methyl-3-[4-[(2S)-4,4,4-trifluoro-3-methoxy-3-trimethylsilyloxybutan-2-yl]oxyphenyl]propan-1-amine
CID 70149478
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
4-(4,4-dimethylpentyl)phenol
CID 20692467
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
CID 111487786
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
CID 170847652
CID 170847652
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol?
The IUPAC name of 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol (CID 22345532) is 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol.
What is the SMILES notation for 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol?
The canonical SMILES for 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol is CN(CCCc1ccc(O)cc1)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol?
The InChIKey is IWHMHKTVPLFMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2NO/c1-24(19-7-11-21(25)12-8-19,20-9-13-22(26)14-10-20)27(2)17-3-4-18-5-15-23(28)16-6-18/h5-16,28H,3-4,17H2,1-2H3.
What are the key properties of 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol?
4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol has a molecular weight of 414.38 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1,1-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenol is sourced from PubChem (CID 22345532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).