[3-(2-ethylbutylamino)phenyl]methanol

C13H21NO — CID 43715042

IUPAC[3-(2-ethylbutylamino)phenyl]methanol
SMILESCCC(CC)CNc1cccc(CO)c1
InChIInChI=1S/C13H21NO/c1-3-11(4-2)9-14-13-7-5-6-12(8-13)10-15/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyQWSHPHKBFDULGB-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.03
Rot. Bonds6

About [3-(2-ethylbutylamino)phenyl]methanol

[3-(2-ethylbutylamino)phenyl]methanol (PubChem CID 43715042) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [3-(2-ethylbutylamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-ethylbutylamino)phenyl]methanol
PubChem CID43715042
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[3-(2-ethylbutylamino)phenyl]methanol
SMILESCCC(CC)CNc1cccc(CO)c1
InChIInChI=1S/C13H21NO/c1-3-11(4-2)9-14-13-7-5-6-12(8-13)10-15/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyQWSHPHKBFDULGB-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
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[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
N-(2-ethylbutyl)-3-methylsulfanylaniline
CID 29289769
[3-(3-methylbut-2-enylamino)phenyl]methanol
CID 131065051
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
CID 130874904
[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171
3-[(2-ethyl-4-hydroxybutyl)amino]benzonitrile
CID 102816897
N-(2-ethylbutyl)-3-propoxyaniline
CID 43693684

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylbutylamino)phenyl]methanol?
The IUPAC name of [3-(2-ethylbutylamino)phenyl]methanol (CID 43715042) is [3-(2-ethylbutylamino)phenyl]methanol.
What is the SMILES notation for [3-(2-ethylbutylamino)phenyl]methanol?
The canonical SMILES for [3-(2-ethylbutylamino)phenyl]methanol is CCC(CC)CNc1cccc(CO)c1.
What is the InChIKey of [3-(2-ethylbutylamino)phenyl]methanol?
The InChIKey is QWSHPHKBFDULGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11(4-2)9-14-13-7-5-6-12(8-13)10-15/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of [3-(2-ethylbutylamino)phenyl]methanol?
[3-(2-ethylbutylamino)phenyl]methanol has a molecular weight of 207.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylbutylamino)phenyl]methanol is sourced from PubChem (CID 43715042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).