[2-(1-phenylbutan-2-ylamino)phenyl]methanol

C17H21NO — CID 79007205

IUPAC[2-(1-phenylbutan-2-ylamino)phenyl]methanol
SMILESCCC(Cc1ccccc1)Nc1ccccc1CO
InChIInChI=1S/C17H21NO/c1-2-16(12-14-8-4-3-5-9-14)18-17-11-7-6-10-15(17)13-19/h3-11,16,18-19H,2,12-13H2,1H3
InChIKeyNXEZDBABGXSMIR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.61
Rot. Bonds6

About [2-(1-phenylbutan-2-ylamino)phenyl]methanol

[2-(1-phenylbutan-2-ylamino)phenyl]methanol (PubChem CID 79007205) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(1-phenylbutan-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-phenylbutan-2-ylamino)phenyl]methanol
PubChem CID79007205
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[2-(1-phenylbutan-2-ylamino)phenyl]methanol
SMILESCCC(Cc1ccccc1)Nc1ccccc1CO
InChIInChI=1S/C17H21NO/c1-2-16(12-14-8-4-3-5-9-14)18-17-11-7-6-10-15(17)13-19/h3-11,16,18-19H,2,12-13H2,1H3
InChIKeyNXEZDBABGXSMIR-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-pentan-3-ylaniline
CID 29272087
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275520
[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275522
N-(1-phenylbutan-2-yl)-2-prop-2-enylsulfanylaniline
CID 79008915
[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
CID 103935860
2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
CID 143127936
3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol
CID 65337723
N-(1-phenylbutan-2-yl)-1H-indazol-4-amine
CID 79007531
2,5-dichloro-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 104726531
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylbutan-2-ylamino)phenyl]methanol?
The IUPAC name of [2-(1-phenylbutan-2-ylamino)phenyl]methanol (CID 79007205) is [2-(1-phenylbutan-2-ylamino)phenyl]methanol.
What is the SMILES notation for [2-(1-phenylbutan-2-ylamino)phenyl]methanol?
The canonical SMILES for [2-(1-phenylbutan-2-ylamino)phenyl]methanol is CCC(Cc1ccccc1)Nc1ccccc1CO.
What is the InChIKey of [2-(1-phenylbutan-2-ylamino)phenyl]methanol?
The InChIKey is NXEZDBABGXSMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-16(12-14-8-4-3-5-9-14)18-17-11-7-6-10-15(17)13-19/h3-11,16,18-19H,2,12-13H2,1H3.
What are the key properties of [2-(1-phenylbutan-2-ylamino)phenyl]methanol?
[2-(1-phenylbutan-2-ylamino)phenyl]methanol has a molecular weight of 255.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylbutan-2-ylamino)phenyl]methanol is sourced from PubChem (CID 79007205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).