3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol

C16H25NO — CID 106185527

IUPAC3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-15(2,16(3,4)18)17-11-12-5-7-13(8-6-12)14-9-10-14/h5-8,14,17-18H,9-11H2,1-4H3
InChIKeyLEPIJVRCKYGIHR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds5

About 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol

3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 106185527) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID106185527
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H25NO/c1-15(2,16(3,4)18)17-11-12-5-7-13(8-6-12)14-9-10-14/h5-8,14,17-18H,9-11H2,1-4H3
InChIKeyLEPIJVRCKYGIHR-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine
CID 79984769
2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol
CID 103911941
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]benzonitrile
CID 103911853
1-(4-cyclopropylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720184
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911833
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151387
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
4-(4-tert-butylphenyl)cyclohexan-1-ol
CID 116963195

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol (CID 106185527) is 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCc1ccc(C2CC2)cc1.
What is the InChIKey of 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is LEPIJVRCKYGIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,16(3,4)18)17-11-12-5-7-13(8-6-12)14-9-10-14/h5-8,14,17-18H,9-11H2,1-4H3.
What are the key properties of 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol?
3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).