1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol

C11H14ClNO — CID 130055465

IUPAC1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol
SMILESNC(c1ccc(Cl)cc1)C1(O)CCC1
InChIInChI=1S/C11H14ClNO/c12-9-4-2-8(3-5-9)10(13)11(14)6-1-7-11/h2-5,10,14H,1,6-7,13H2
InChIKeyUEUQUFLKMQXIOV-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.25
Rot. Bonds2

About 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol

1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol (PubChem CID 130055465) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol
PubChem CID130055465
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol
SMILESNC(c1ccc(Cl)cc1)C1(O)CCC1
InChIInChI=1S/C11H14ClNO/c12-9-4-2-8(3-5-9)10(13)11(14)6-1-7-11/h2-5,10,14H,1,6-7,13H2
InChIKeyUEUQUFLKMQXIOV-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(4-fluorophenyl)methyl]cyclopentan-1-ol
CID 121281031
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
CID 121281370
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
1-[amino-(6-chloro-2-pyridinyl)methyl]cyclopentan-1-ol
CID 121280887
1-adamantyl-(4-chlorophenyl)methanamine
CID 43096295
[1-(aminomethyl)cyclobutyl]-(3-chloro-4-fluorophenyl)methanamine
CID 116943859
(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
CID 139996809
[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912658
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
1-[2-amino-1-(4-chlorophenyl)butyl]-4-methylazepan-4-ol
CID 107403919
1-[amino-(3-chloro-4-fluorophenyl)methyl]cyclobutane-1-carbonitrile
CID 116943715

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol (CID 130055465) is 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol is NC(c1ccc(Cl)cc1)C1(O)CCC1.
What is the InChIKey of 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol?
The InChIKey is UEUQUFLKMQXIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-4-2-8(3-5-9)10(13)11(14)6-1-7-11/h2-5,10,14H,1,6-7,13H2.
What are the key properties of 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol?
1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol has a molecular weight of 211.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 130055465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).