[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol

C16H18ClNO — CID 103935860

IUPAC[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
SMILESCC(Cc1ccc(Cl)cc1)Nc1ccccc1CO
InChIInChI=1S/C16H18ClNO/c1-12(10-13-6-8-15(17)9-7-13)18-16-5-3-2-4-14(16)11-19/h2-9,12,18-19H,10-11H2,1H3
InChIKeyMFCVYOALFDCPRS-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.88
Rot. Bonds5

About [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol

[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol (PubChem CID 103935860) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
PubChem CID103935860
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
SMILESCC(Cc1ccc(Cl)cc1)Nc1ccccc1CO
InChIInChI=1S/C16H18ClNO/c1-12(10-13-6-8-15(17)9-7-13)18-16-5-3-2-4-14(16)11-19/h2-9,12,18-19H,10-11H2,1H3
InChIKeyMFCVYOALFDCPRS-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(1-phenylbutan-2-ylamino)phenyl]methanol
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2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
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[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
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[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
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[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
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5-chloro-2-(1-phenylpropan-2-ylamino)benzenecarbothioamide
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2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol?
The IUPAC name of [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol (CID 103935860) is [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol.
What is the SMILES notation for [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol?
The canonical SMILES for [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol is CC(Cc1ccc(Cl)cc1)Nc1ccccc1CO.
What is the InChIKey of [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol?
The InChIKey is MFCVYOALFDCPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(10-13-6-8-15(17)9-7-13)18-16-5-3-2-4-14(16)11-19/h2-9,12,18-19H,10-11H2,1H3.
What are the key properties of [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol?
[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol has a molecular weight of 275.78 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol is sourced from PubChem (CID 103935860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).