[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine

C14H20ClNO — CID 116963562

IUPAC[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C1(CN)CCC1
InChIInChI=1S/C14H20ClNO/c1-9-7-11(17-3)12(10(2)13(9)15)14(8-16)5-4-6-14/h7H,4-6,8,16H2,1-3H3
InChIKeyPRTTVVAPXVTLAX-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.35
Rot. Bonds3

About [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine

[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine (PubChem CID 116963562) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
PubChem CID116963562
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C1(CN)CCC1
InChIInChI=1S/C14H20ClNO/c1-9-7-11(17-3)12(10(2)13(9)15)14(8-16)5-4-6-14/h7H,4-6,8,16H2,1-3H3
InChIKeyPRTTVVAPXVTLAX-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine
CID 116963630
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine (CID 116963562) is [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine is COc1cc(C)c(Cl)c(C)c1C1(CN)CCC1.
What is the InChIKey of [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine?
The InChIKey is PRTTVVAPXVTLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-7-11(17-3)12(10(2)13(9)15)14(8-16)5-4-6-14/h7H,4-6,8,16H2,1-3H3.
What are the key properties of [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine?
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine has a molecular weight of 253.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 116963562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).