3-amino-3-(2-tert-butylphenyl)propan-1-ol

C13H21NO — CID 84779858

IUPAC3-amino-3-(2-tert-butylphenyl)propan-1-ol
SMILESCC(C)(C)c1ccccc1C(N)CCO
InChIInChI=1S/C13H21NO/c1-13(2,3)11-7-5-4-6-10(11)12(14)8-9-15/h4-7,12,15H,8-9,14H2,1-3H3
InChIKeyCHSMNJRSELFWBL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.37
Rot. Bonds3

About 3-amino-3-(2-tert-butylphenyl)propan-1-ol

3-amino-3-(2-tert-butylphenyl)propan-1-ol (PubChem CID 84779858) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-amino-3-(2-tert-butylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-tert-butylphenyl)propan-1-ol
PubChem CID84779858
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-amino-3-(2-tert-butylphenyl)propan-1-ol
SMILESCC(C)(C)c1ccccc1C(N)CCO
InChIInChI=1S/C13H21NO/c1-13(2,3)11-7-5-4-6-10(11)12(14)8-9-15/h4-7,12,15H,8-9,14H2,1-3H3
InChIKeyCHSMNJRSELFWBL-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propan-1-ol;hydrochloride
CID 171234540
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2-amino-1-(2-tert-butylphenyl)ethanol
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2-amino-2-[2-(2-fluoropropan-2-yl)phenyl]ethanol
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3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
2-(1-amino-3-hydroxypropyl)-4,6-ditert-butylphenol;hydrochloride
CID 170874618
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
2-amino-2-(2-tert-butylphenyl)acetic acid
CID 77127946
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-tert-butylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(2-tert-butylphenyl)propan-1-ol (CID 84779858) is 3-amino-3-(2-tert-butylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2-tert-butylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2-tert-butylphenyl)propan-1-ol is CC(C)(C)c1ccccc1C(N)CCO.
What is the InChIKey of 3-amino-3-(2-tert-butylphenyl)propan-1-ol?
The InChIKey is CHSMNJRSELFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)11-7-5-4-6-10(11)12(14)8-9-15/h4-7,12,15H,8-9,14H2,1-3H3.
What are the key properties of 3-amino-3-(2-tert-butylphenyl)propan-1-ol?
3-amino-3-(2-tert-butylphenyl)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-tert-butylphenyl)propan-1-ol is sourced from PubChem (CID 84779858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).