2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine

C15H20ClNO — CID 65002776

IUPAC2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
SMILESCOc1ccc(Cl)cc1C1(N)CC2(CCCC2)C1
InChIInChI=1S/C15H20ClNO/c1-18-13-5-4-11(16)8-12(13)15(17)9-14(10-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9-10,17H2,1H3
InChIKeyANPXWRGSKMHEPE-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.86
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine

2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine (PubChem CID 65002776) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
PubChem CID65002776
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
SMILESCOc1ccc(Cl)cc1C1(N)CC2(CCCC2)C1
InChIInChI=1S/C15H20ClNO/c1-18-13-5-4-11(16)8-12(13)15(17)9-14(10-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9-10,17H2,1H3
InChIKeyANPXWRGSKMHEPE-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.86
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[3.5]nonan-2-yl]methanamine
CID 65007249
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
2-(5-chloro-2-methoxyphenyl)spiro[3.3]heptane-2-carbonitrile
CID 65009591
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
5-(2-methoxyphenyl)spiro[2.3]hexan-5-amine
CID 65008758
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
CID 65014865
1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407771
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonane-2-carbonitrile
CID 65006496

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine (CID 65002776) is 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine is COc1ccc(Cl)cc1C1(N)CC2(CCCC2)C1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine?
The InChIKey is ANPXWRGSKMHEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-18-13-5-4-11(16)8-12(13)15(17)9-14(10-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9-10,17H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine?
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine has a molecular weight of 265.78 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine is sourced from PubChem (CID 65002776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).