3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine

C12H17ClN2O — CID 116937310

IUPAC3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(Cl)cc1C(N)C1CC(N)C1
InChIInChI=1S/C12H17ClN2O/c1-16-11-3-2-8(13)6-10(11)12(15)7-4-9(14)5-7/h2-3,6-7,9,12H,4-5,14-15H2,1H3
InChIKeyQLYIFCALXVMBNW-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.09
Rot. Bonds3

About 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine

3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 116937310) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID116937310
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(Cl)cc1C(N)C1CC(N)C1
InChIInChI=1S/C12H17ClN2O/c1-16-11-3-2-8(13)6-10(11)12(15)7-4-9(14)5-7/h2-3,6-7,9,12H,4-5,14-15H2,1H3
InChIKeyQLYIFCALXVMBNW-UHFFFAOYSA-N
XLogP2.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
CID 116726239

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine (CID 116937310) is 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine is COc1ccc(Cl)cc1C(N)C1CC(N)C1.
What is the InChIKey of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is QLYIFCALXVMBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-11-3-2-8(13)6-10(11)12(15)7-4-9(14)5-7/h2-3,6-7,9,12H,4-5,14-15H2,1H3.
What are the key properties of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine?
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 240.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).