1-(methylamino)-1-(4-methylphenyl)propan-2-ol

C11H17NO — CID 116859377

IUPAC1-(methylamino)-1-(4-methylphenyl)propan-2-ol
SMILESCNC(c1ccc(C)cc1)C(C)O
InChIInChI=1S/C11H17NO/c1-8-4-6-10(7-5-8)11(12-3)9(2)13/h4-7,9,11-13H,1-3H3
InChIKeyBOHNLVLTQKRPTA-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.64
Rot. Bonds3

About 1-(methylamino)-1-(4-methylphenyl)propan-2-ol

1-(methylamino)-1-(4-methylphenyl)propan-2-ol (PubChem CID 116859377) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(methylamino)-1-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-1-(4-methylphenyl)propan-2-ol
PubChem CID116859377
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(methylamino)-1-(4-methylphenyl)propan-2-ol
SMILESCNC(c1ccc(C)cc1)C(C)O
InChIInChI=1S/C11H17NO/c1-8-4-6-10(7-5-8)11(12-3)9(2)13/h4-7,9,11-13H,1-3H3
InChIKeyBOHNLVLTQKRPTA-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylamino)-1-pyridin-4-ylpropan-2-ol
CID 116859507
1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
CID 116859470
2-amino-3-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 116957451
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
3-[1-(methylamino)-1-(4-methylphenyl)propan-2-yl]sulfanylpropan-1-ol
CID 66126858
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495133
1-chloro-N-methyl-1-(4-methylphenyl)methanamine
CID 116962024
3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide
CID 142103685
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956623

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(methylamino)-1-(4-methylphenyl)propan-2-ol (CID 116859377) is 1-(methylamino)-1-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-1-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-1-(4-methylphenyl)propan-2-ol is CNC(c1ccc(C)cc1)C(C)O.
What is the InChIKey of 1-(methylamino)-1-(4-methylphenyl)propan-2-ol?
The InChIKey is BOHNLVLTQKRPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-6-10(7-5-8)11(12-3)9(2)13/h4-7,9,11-13H,1-3H3.
What are the key properties of 1-(methylamino)-1-(4-methylphenyl)propan-2-ol?
1-(methylamino)-1-(4-methylphenyl)propan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 116859377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).