[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol

C25H28ClNO2 — CID 23110461

IUPAC[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol
SMILESCC(C)(C)CNc1ccc(Cl)cc1C(O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H28ClNO2/c1-25(2,3)17-27-22-14-13-19(26)15-21(22)24(28)20-11-7-8-12-23(20)29-16-18-9-5-4-6-10-18/h4-15,24,27-28H,16-17H2,1-3H3
InChIKeySXLCBUWTMBJDSW-UHFFFAOYSA-N
MW409.96 g/mol
LogP6.46
Rot. Bonds7

About [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol

[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol (PubChem CID 23110461) has the molecular formula C25H28ClNO2 and a molecular weight of 409.96 g/mol. Its IUPAC name is [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol
PubChem CID23110461
Molecular FormulaC25H28ClNO2
Molecular Weight409.96 g/mol
Exact Mass409.18
IUPAC Name[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol
SMILESCC(C)(C)CNc1ccc(Cl)cc1C(O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H28ClNO2/c1-25(2,3)17-27-22-14-13-19(26)15-21(22)24(28)20-11-7-8-12-23(20)29-16-18-9-5-4-6-10-18/h4-15,24,27-28H,16-17H2,1-3H3
InChIKeySXLCBUWTMBJDSW-UHFFFAOYSA-N
XLogP6.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
methyl 2-[(5-chloro-2-phenylmethoxyphenyl)-hydroxymethyl]prop-2-enoate
CID 11461735
(5-methylfuran-2-yl)-(2-phenylmethoxyphenyl)methanol
CID 23906081
(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol
CID 67459729
(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol
CID 101151784
methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate
CID 21465884
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(E)-4-[[1-[2-[(4-chloro-2-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-methylpropyl]amino]-4-oxobut-2-enoic acid
CID 142651882
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol?
The IUPAC name of [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol (CID 23110461) is [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol?
The canonical SMILES for [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol is CC(C)(C)CNc1ccc(Cl)cc1C(O)c1ccccc1OCc1ccccc1.
What is the InChIKey of [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol?
The InChIKey is SXLCBUWTMBJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClNO2/c1-25(2,3)17-27-22-14-13-19(26)15-21(22)24(28)20-11-7-8-12-23(20)29-16-18-9-5-4-6-10-18/h4-15,24,27-28H,16-17H2,1-3H3.
What are the key properties of [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol?
[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol has a molecular weight of 409.96 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 23110461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).