1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol

C13H21NO — CID 116542792

IUPAC1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CN)c1
InChIInChI=1S/C13H21NO/c1-10(2)7-11-5-4-6-12(8-11)13(3,15)9-14/h4-6,8,10,15H,7,9,14H2,1-3H3
InChIKeyLSTLLKZNVQZHDH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds4

About 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol

1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol (PubChem CID 116542792) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
PubChem CID116542792
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CN)c1
InChIInChI=1S/C13H21NO/c1-10(2)7-11-5-4-6-12(8-11)13(3,15)9-14/h4-6,8,10,15H,7,9,14H2,1-3H3
InChIKeyLSTLLKZNVQZHDH-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403
2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
CID 116542872
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
4-amino-1-(3-tert-butylphenyl)butan-2-ol
CID 66582205
1-bromo-4-tert-butyl-2-(2-methylpropyl)benzene;1-tert-butyl-3-(2-methylpropyl)benzene
CID 163429812

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
The IUPAC name of 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol (CID 116542792) is 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
The canonical SMILES for 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol is CC(C)Cc1cccc(C(C)(O)CN)c1.
What is the InChIKey of 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
The InChIKey is LSTLLKZNVQZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)7-11-5-4-6-12(8-11)13(3,15)9-14/h4-6,8,10,15H,7,9,14H2,1-3H3.
What are the key properties of 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol?
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol is sourced from PubChem (CID 116542792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).