N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine

C18H27NO — CID 43635319

IUPACN-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccccc1C1CC(NC2CCCC(C)C2)C1
InChIInChI=1S/C18H27NO/c1-13-6-5-7-15(10-13)19-16-11-14(12-16)17-8-3-4-9-18(17)20-2/h3-4,8-9,13-16,19H,5-7,10-12H2,1-2H3
InChIKeyXMNZDORYFGRAOV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds4

About N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine

N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine (PubChem CID 43635319) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine
PubChem CID43635319
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccccc1C1CC(NC2CCCC(C)C2)C1
InChIInChI=1S/C18H27NO/c1-13-6-5-7-15(10-13)19-16-11-14(12-16)17-8-3-4-9-18(17)20-2/h3-4,8-9,13-16,19H,5-7,10-12H2,1-2H3
InChIKeyXMNZDORYFGRAOV-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine (CID 43635319) is N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine is COc1ccccc1C1CC(NC2CCCC(C)C2)C1.
What is the InChIKey of N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine?
The InChIKey is XMNZDORYFGRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-6-5-7-15(10-13)19-16-11-14(12-16)17-8-3-4-9-18(17)20-2/h3-4,8-9,13-16,19H,5-7,10-12H2,1-2H3.
What are the key properties of N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine?
N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43635319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).