[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol

C12H15Cl2NO — CID 79138573

IUPAC[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
SMILESNCC1(C(O)c2cc(Cl)cc(Cl)c2)CCC1
InChIInChI=1S/C12H15Cl2NO/c13-9-4-8(5-10(14)6-9)11(16)12(7-15)2-1-3-12/h4-6,11,16H,1-3,7,15H2
InChIKeyRAHJBIGVNNKBDF-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.16
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol

[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol (PubChem CID 79138573) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
PubChem CID79138573
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
SMILESNCC1(C(O)c2cc(Cl)cc(Cl)c2)CCC1
InChIInChI=1S/C12H15Cl2NO/c13-9-4-8(5-10(14)6-9)11(16)12(7-15)2-1-3-12/h4-6,11,16H,1-3,7,15H2
InChIKeyRAHJBIGVNNKBDF-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-ethylcyclopentyl]-(3,5-dichlorophenyl)methanol
CID 79138188
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
CID 79137860
[1-(aminomethyl)cyclobutyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241184
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-chloro-5-fluorophenyl)methanol
CID 114455039
[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
CID 79124264
[1-(aminomethyl)cyclobutyl]-(furan-3-yl)methanol
CID 79138177
[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
CID 79135535
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)cyclobutyl]-(1,3-benzodioxol-5-yl)methanol
CID 79135284
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138512

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol (CID 79138573) is [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol is NCC1(C(O)c2cc(Cl)cc(Cl)c2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol?
The InChIKey is RAHJBIGVNNKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-9-4-8(5-10(14)6-9)11(16)12(7-15)2-1-3-12/h4-6,11,16H,1-3,7,15H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol?
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol has a molecular weight of 260.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol is sourced from PubChem (CID 79138573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).