2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol

C15H23NO — CID 79123735

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1(CN)CCC1
InChIInChI=1S/C15H23NO/c1-2-15(17,14(12-16)9-6-10-14)11-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-12,16H2,1H3
InChIKeyOPZNYFBXEFTPBN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.50
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol

2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol (PubChem CID 79123735) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol
PubChem CID79123735
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1(CN)CCC1
InChIInChI=1S/C15H23NO/c1-2-15(17,14(12-16)9-6-10-14)11-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-12,16H2,1H3
InChIKeyOPZNYFBXEFTPBN-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclooctyl]-1-phenylbutan-2-ol
CID 80610750
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824
2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol
CID 79124394
1-[1-(aminomethyl)cyclopentyl]-1-phenylbutan-1-ol
CID 79135376
1-(2-hydroxy-1-phenylbutan-2-yl)-3-methylcyclohexane-1-carbonitrile
CID 79128414
1-(2-hydroxy-1-phenylbutan-2-yl)-4-methylcyclohexane-1-carbonitrile
CID 79127168
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol
CID 114835055
azane;3-benzylpentan-3-ol
CID 173295411
2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol
CID 165446723
3-(2-hydroxy-1-phenylbutan-2-yl)-1,1-dioxothiolane-3-carbonitrile
CID 115338353
2,2-dimethylpropylbenzene;methanol
CID 157125736
1-phenylpentane-2,2-diol
CID 56635388

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol (CID 79123735) is 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)C1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol?
The InChIKey is OPZNYFBXEFTPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-15(17,14(12-16)9-6-10-14)11-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-12,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol?
2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol has a molecular weight of 233.36 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 2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol is sourced from PubChem (CID 79123735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).