[3-(1-phenylbutan-2-ylamino)phenyl]methanol

C17H21NO — CID 79007308

IUPAC[3-(1-phenylbutan-2-ylamino)phenyl]methanol
SMILESCCC(Cc1ccccc1)Nc1cccc(CO)c1
InChIInChI=1S/C17H21NO/c1-2-16(11-14-7-4-3-5-8-14)18-17-10-6-9-15(12-17)13-19/h3-10,12,16,18-19H,2,11,13H2,1H3
InChIKeyHMLSWDUSRABZRM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.61
Rot. Bonds6

About [3-(1-phenylbutan-2-ylamino)phenyl]methanol

[3-(1-phenylbutan-2-ylamino)phenyl]methanol (PubChem CID 79007308) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [3-(1-phenylbutan-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(1-phenylbutan-2-ylamino)phenyl]methanol
PubChem CID79007308
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[3-(1-phenylbutan-2-ylamino)phenyl]methanol
SMILESCCC(Cc1ccccc1)Nc1cccc(CO)c1
InChIInChI=1S/C17H21NO/c1-2-16(11-14-7-4-3-5-8-14)18-17-10-6-9-15(12-17)13-19/h3-10,12,16,18-19H,2,11,13H2,1H3
InChIKeyHMLSWDUSRABZRM-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

3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
N-(1-phenylbutan-2-yl)-3-propoxyaniline
CID 79008834
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171
[3-(2-ethylbutylamino)phenyl]methanol
CID 43715042
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
3-chloro-4-methoxy-N-(1-phenylbutan-2-yl)aniline
CID 79007273
N-(1-phenylbutan-2-yl)-1H-indol-5-amine
CID 79007478
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146

Frequently Asked Questions

What is the IUPAC name of [3-(1-phenylbutan-2-ylamino)phenyl]methanol?
The IUPAC name of [3-(1-phenylbutan-2-ylamino)phenyl]methanol (CID 79007308) is [3-(1-phenylbutan-2-ylamino)phenyl]methanol.
What is the SMILES notation for [3-(1-phenylbutan-2-ylamino)phenyl]methanol?
The canonical SMILES for [3-(1-phenylbutan-2-ylamino)phenyl]methanol is CCC(Cc1ccccc1)Nc1cccc(CO)c1.
What is the InChIKey of [3-(1-phenylbutan-2-ylamino)phenyl]methanol?
The InChIKey is HMLSWDUSRABZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-16(11-14-7-4-3-5-8-14)18-17-10-6-9-15(12-17)13-19/h3-10,12,16,18-19H,2,11,13H2,1H3.
What are the key properties of [3-(1-phenylbutan-2-ylamino)phenyl]methanol?
[3-(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 [3-(1-phenylbutan-2-ylamino)phenyl]methanol is sourced from PubChem (CID 79007308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).