3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol

C15H21NO — CID 66005834

IUPAC3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC(c2ccccc2)C2CC2)C1
InChIInChI=1S/C15H21NO/c17-14-8-11(9-14)10-16-15(13-6-7-13)12-4-2-1-3-5-12/h1-5,11,13-17H,6-10H2
InChIKeyVMHNSUPIKITGEV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.50
Rot. Bonds5

About 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol

3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol (PubChem CID 66005834) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
PubChem CID66005834
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC(c2ccccc2)C2CC2)C1
InChIInChI=1S/C15H21NO/c17-14-8-11(9-14)10-16-15(13-6-7-13)12-4-2-1-3-5-12/h1-5,11,13-17H,6-10H2
InChIKeyVMHNSUPIKITGEV-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 119932504
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
CID 66007275
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466

Frequently Asked Questions

What is the IUPAC name of 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol (CID 66005834) is 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol is OC1CC(CNC(c2ccccc2)C2CC2)C1.
What is the InChIKey of 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is VMHNSUPIKITGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-14-8-11(9-14)10-16-15(13-6-7-13)12-4-2-1-3-5-12/h1-5,11,13-17H,6-10H2.
What are the key properties of 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol?
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).