(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol

C11H17NO — CID 144598850

IUPAC(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
SMILESCc1ccc([C@H](N)C(C)(C)O)cc1
InChIInChI=1S/C11H17NO/c1-8-4-6-9(7-5-8)10(12)11(2,3)13/h4-7,10,13H,12H2,1-3H3/t10-/m0/s1
InChIKeyLEPZRYMHQWTOPX-JTQLQIEISA-N
MW179.26 g/mol
LogP1.77
Rot. Bonds2

About (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol

(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol (PubChem CID 144598850) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
PubChem CID144598850
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
SMILESCc1ccc([C@H](N)C(C)(C)O)cc1
InChIInChI=1S/C11H17NO/c1-8-4-6-9(7-5-8)10(12)11(2,3)13/h4-7,10,13H,12H2,1-3H3/t10-/m0/s1
InChIKeyLEPZRYMHQWTOPX-JTQLQIEISA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-methylphenyl)propane-1,2-diol
CID 10535384
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine
CID 145315070
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
CID 116942097
(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
CID 161443517
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
amino-(4-methylphenyl)methanol
CID 70304176
N-[amino-(4-methylphenyl)methyl]hydroxylamine
CID 142151488
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol
CID 147216936
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol (CID 144598850) is (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol is Cc1ccc([C@H](N)C(C)(C)O)cc1.
What is the InChIKey of (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol?
The InChIKey is LEPZRYMHQWTOPX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-6-9(7-5-8)10(12)11(2,3)13/h4-7,10,13H,12H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol?
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 144598850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).