3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol

C15H23NO — CID 66004568

IUPAC3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)C(NCC1CC(O)C1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-11(2)15(13-6-4-3-5-7-13)16-10-12-8-14(17)9-12/h3-7,11-12,14-17H,8-10H2,1-2H3
InChIKeyKSUYDFDAHPRALL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.74
Rot. Bonds5

About 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol

3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol (PubChem CID 66004568) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
PubChem CID66004568
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)C(NCC1CC(O)C1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-11(2)15(13-6-4-3-5-7-13)16-10-12-8-14(17)9-12/h3-7,11-12,14-17H,8-10H2,1-2H3
InChIKeyKSUYDFDAHPRALL-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
4-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529940
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
CID 66005834
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
CID 66007275
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225668
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
CID 103605764

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol (CID 66004568) is 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol is CC(C)C(NCC1CC(O)C1)c1ccccc1.
What is the InChIKey of 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is KSUYDFDAHPRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)15(13-6-4-3-5-7-13)16-10-12-8-14(17)9-12/h3-7,11-12,14-17H,8-10H2,1-2H3.
What are the key properties of 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol?
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66004568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).