2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol

C15H23NO — CID 111977080

IUPAC2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1cccc(CNC(C)(CO)C2CC2)c1C
InChIInChI=1S/C15H23NO/c1-11-5-4-6-13(12(11)2)9-16-15(3,10-17)14-7-8-14/h4-6,14,16-17H,7-10H2,1-3H3
InChIKeyZDOQIGCFLDBZPH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.55
Rot. Bonds5

About 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol

2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol (PubChem CID 111977080) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol
PubChem CID111977080
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1cccc(CNC(C)(CO)C2CC2)c1C
InChIInChI=1S/C15H23NO/c1-11-5-4-6-13(12(11)2)9-16-15(3,10-17)14-7-8-14/h4-6,14,16-17H,7-10H2,1-3H3
InChIKeyZDOQIGCFLDBZPH-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111977207
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
(2S)-2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propan-1-ol
CID 97030669
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844
2-[[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]amino]-N-(2-ethylphenyl)acetamide
CID 97262568
2-cyclopropyl-2-(furan-3-ylmethylamino)propan-1-ol
CID 115685163
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147038
3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54983316
(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol
CID 99809997
2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol
CID 111977184
3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol (CID 111977080) is 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol is Cc1cccc(CNC(C)(CO)C2CC2)c1C.
What is the InChIKey of 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol?
The InChIKey is ZDOQIGCFLDBZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-4-6-13(12(11)2)9-16-15(3,10-17)14-7-8-14/h4-6,14,16-17H,7-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol?
2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 111977080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).