[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine

C15H22ClNO — CID 117423578

IUPAC[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(Cl)cc(C2(CN)CCC2)c1C(C)C
InChIInChI=1S/C15H22ClNO/c1-10(2)14-12(15(9-17)5-4-6-15)7-11(16)8-13(14)18-3/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyUBACGMBMWMTGHX-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.85
Rot. Bonds4

About [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine

[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 117423578) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID117423578
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(Cl)cc(C2(CN)CCC2)c1C(C)C
InChIInChI=1S/C15H22ClNO/c1-10(2)14-12(15(9-17)5-4-6-15)7-11(16)8-13(14)18-3/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyUBACGMBMWMTGHX-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
CID 84680067
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutyl]methanamine
CID 117476581
[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117456574
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine (CID 117423578) is [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine is COc1cc(Cl)cc(C2(CN)CCC2)c1C(C)C.
What is the InChIKey of [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is UBACGMBMWMTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)14-12(15(9-17)5-4-6-15)7-11(16)8-13(14)18-3/h7-8,10H,4-6,9,17H2,1-3H3.
What are the key properties of [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine?
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117423578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).