2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol

C15H25NO — CID 61054133

IUPAC2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCc1ccc(C(C)(CO)NCC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)9-16-15(5,10-17)14-7-6-12(3)13(4)8-14/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyAHLKFOSYHYPWHE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol

2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol (PubChem CID 61054133) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
PubChem CID61054133
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCc1ccc(C(C)(CO)NCC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)9-16-15(5,10-17)14-7-6-12(3)13(4)8-14/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyAHLKFOSYHYPWHE-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
2-(2-methylbutylamino)-2-phenylpropan-1-ol
CID 115687949
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 61050325
N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
CID 154871949
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol
CID 61056180
2-(ethylamino)-2-(4-methylphenyl)propan-1-ol
CID 61048119
2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63512435
2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 62543812
2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 61308364

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol (CID 61054133) is 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol is Cc1ccc(C(C)(CO)NCC(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The InChIKey is AHLKFOSYHYPWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)9-16-15(5,10-17)14-7-6-12(3)13(4)8-14/h6-8,11,16-17H,9-10H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol?
2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol is sourced from PubChem (CID 61054133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).