1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine

C17H18ClNO — CID 65014865

IUPAC1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
SMILESCOc1ccc(Cl)cc1C1(N)CC(c2ccccc2)C1
InChIInChI=1S/C17H18ClNO/c1-20-16-8-7-14(18)9-15(16)17(19)10-13(11-17)12-5-3-2-4-6-12/h2-9,13H,10-11,19H2,1H3
InChIKeyRFCJVGPJMRNNOB-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.08
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine

1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine (PubChem CID 65014865) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
PubChem CID65014865
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
SMILESCOc1ccc(Cl)cc1C1(N)CC(c2ccccc2)C1
InChIInChI=1S/C17H18ClNO/c1-20-16-8-7-14(18)9-15(16)17(19)10-13(11-17)12-5-3-2-4-6-12/h2-9,13H,10-11,19H2,1H3
InChIKeyRFCJVGPJMRNNOB-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 116842455
1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407771
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 65017164
1-(4-chloro-2-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 106819817
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
CID 117402785

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine (CID 65014865) is 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine is COc1ccc(Cl)cc1C1(N)CC(c2ccccc2)C1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine?
The InChIKey is RFCJVGPJMRNNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-16-8-7-14(18)9-15(16)17(19)10-13(11-17)12-5-3-2-4-6-12/h2-9,13H,10-11,19H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine?
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine has a molecular weight of 287.79 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 65014865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).