2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol

C14H23NO2 — CID 115347510

IUPAC2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
SMILESCC(C)Oc1cccc(C(O)C(N)C(C)C)c1
InChIInChI=1S/C14H23NO2/c1-9(2)13(15)14(16)11-6-5-7-12(8-11)17-10(3)4/h5-10,13-14,16H,15H2,1-4H3
InChIKeyCOALLZNHICSBFK-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.49
Rot. Bonds5

About 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol

2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol (PubChem CID 115347510) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
PubChem CID115347510
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
SMILESCC(C)Oc1cccc(C(O)C(N)C(C)C)c1
InChIInChI=1S/C14H23NO2/c1-9(2)13(15)14(16)11-6-5-7-12(8-11)17-10(3)4/h5-10,13-14,16H,15H2,1-4H3
InChIKeyCOALLZNHICSBFK-UHFFFAOYSA-N
XLogP2.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
methyl 2-[hydroxy-(3-propan-2-yloxyphenyl)methyl]-3-methylbutanoate
CID 62396964
2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 62720778
2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 115824076
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
CID 82282052
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
CID 62226246
2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116724260

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol?
The IUPAC name of 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol (CID 115347510) is 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol?
The canonical SMILES for 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol is CC(C)Oc1cccc(C(O)C(N)C(C)C)c1.
What is the InChIKey of 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol?
The InChIKey is COALLZNHICSBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(2)13(15)14(16)11-6-5-7-12(8-11)17-10(3)4/h5-10,13-14,16H,15H2,1-4H3.
What are the key properties of 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol?
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol is sourced from PubChem (CID 115347510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).