[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone

C12H14ClNO — CID 116600291

IUPAC[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
SMILESNCC1(C(=O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H14ClNO/c13-10-4-2-9(3-5-10)11(15)12(8-14)6-1-7-12/h2-5H,1,6-8,14H2
InChIKeyLGIYKCRQBJCUJW-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.65
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone

[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone (PubChem CID 116600291) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
PubChem CID116600291
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
SMILESNCC1(C(=O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H14ClNO/c13-10-4-2-9(3-5-10)11(15)12(8-14)6-1-7-12/h2-5H,1,6-8,14H2
InChIKeyLGIYKCRQBJCUJW-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
CID 116601363
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 116921275
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
CID 116921662
[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 116921658

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone (CID 116600291) is [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone is NCC1(C(=O)c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone?
The InChIKey is LGIYKCRQBJCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-10-4-2-9(3-5-10)11(15)12(8-14)6-1-7-12/h2-5H,1,6-8,14H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone?
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone has a molecular weight of 223.70 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 116600291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).