3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol

C16H23NO — CID 114629076

IUPAC3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1ccccc1C1CC1
InChIInChI=1S/C16H23NO/c1-16(2)14(9-15(16)18)17-10-12-5-3-4-6-13(12)11-7-8-11/h3-6,11,14-15,17-18H,7-10H2,1-2H3
InChIKeyUMGYKEOXRBSVIE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.81
Rot. Bonds4

About 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629076) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629076
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1ccccc1C1CC1
InChIInChI=1S/C16H23NO/c1-16(2)14(9-15(16)18)17-10-12-5-3-4-6-13(12)11-7-8-11/h3-6,11,14-15,17-18H,7-10H2,1-2H3
InChIKeyUMGYKEOXRBSVIE-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
2,2-dimethyl-3-[(2-methyl-3-nitrophenyl)methylamino]cyclobutan-1-ol
CID 114629537
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
3-[(2-chloro-6-fluorophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115976632
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628998
2-(2-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114628289
2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115977495
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide
CID 114629521
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]furan-2-carboxylic acid
CID 103267206

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 114629076) is 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCc1ccccc1C1CC1.
What is the InChIKey of 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is UMGYKEOXRBSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)14(9-15(16)18)17-10-12-5-3-4-6-13(12)11-7-8-11/h3-6,11,14-15,17-18H,7-10H2,1-2H3.
What are the key properties of 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).