1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol

C23H24ClNO — CID 132590791

IUPAC1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
SMILESCCc1ccc(NC(CC(O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H24ClNO/c1-2-17-8-14-21(15-9-17)25-22(18-6-4-3-5-7-18)16-23(26)19-10-12-20(24)13-11-19/h3-15,22-23,25-26H,2,16H2,1H3
InChIKeyBBNFILHQEFMFBD-UHFFFAOYSA-N
MW365.90 g/mol
LogP6.18
Rot. Bonds7

About 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol

1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol (PubChem CID 132590791) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
PubChem CID132590791
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
SMILESCCc1ccc(NC(CC(O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H24ClNO/c1-2-17-8-14-21(15-9-17)25-22(18-6-4-3-5-7-18)16-23(26)19-10-12-20(24)13-11-19/h3-15,22-23,25-26H,2,16H2,1H3
InChIKeyBBNFILHQEFMFBD-UHFFFAOYSA-N
XLogP6.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 132593923
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 24865344
3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
CID 132590818
1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
CID 132591942
4-[[1-(4-chlorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propyl]amino]benzoic acid
CID 141204468
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
N-benzhydryl-4-ethylaniline
CID 175202309
1,3-bis(4-chlorophenyl)propane-1,3-diol;bis(4-ethylbenzoic acid)
CID 66728211
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
CID 65382327
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592769

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol (CID 132590791) is 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol is CCc1ccc(NC(CC(O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol?
The InChIKey is BBNFILHQEFMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-2-17-8-14-21(15-9-17)25-22(18-6-4-3-5-7-18)16-23(26)19-10-12-20(24)13-11-19/h3-15,22-23,25-26H,2,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol?
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol has a molecular weight of 365.90 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol is sourced from PubChem (CID 132590791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).