4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol

C13H19NO2 — CID 114523428

IUPAC4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
SMILESCC(O)(CCN)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-13(15,7-8-14)10-3-2-4-12(9-10)16-11-5-6-11/h2-4,9,11,15H,5-8,14H2,1H3
InChIKeyBODBZMSCLFZCAV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol

4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol (PubChem CID 114523428) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
PubChem CID114523428
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
SMILESCC(O)(CCN)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-13(15,7-8-14)10-3-2-4-12(9-10)16-11-5-6-11/h2-4,9,11,15H,5-8,14H2,1H3
InChIKeyBODBZMSCLFZCAV-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
CID 114523447
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114521016
1-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)ethanol
CID 114520751
3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
CID 114520776
4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
CID 114523014
3-(4-cyclopropyloxyphenyl)-3-methylbutan-1-amine
CID 114520455
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
[2-(3-tert-butylphenoxy)cyclopentyl]methanamine
CID 43294221
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol?
The IUPAC name of 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol (CID 114523428) is 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol?
The canonical SMILES for 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol is CC(O)(CCN)c1cccc(OC2CC2)c1.
What is the InChIKey of 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol?
The InChIKey is BODBZMSCLFZCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(15,7-8-14)10-3-2-4-12(9-10)16-11-5-6-11/h2-4,9,11,15H,5-8,14H2,1H3.
What are the key properties of 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol?
4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol is sourced from PubChem (CID 114523428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).