2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine

C14H19NO — CID 65009223

IUPAC2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
SMILESCOc1cccc(C2(N)CC3(CCC3)C2)c1
InChIInChI=1S/C14H19NO/c1-16-12-5-2-4-11(8-12)14(15)9-13(10-14)6-3-7-13/h2,4-5,8H,3,6-7,9-10,15H2,1H3
InChIKeyUPBGFRITQLQGSJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine

2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine (PubChem CID 65009223) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
PubChem CID65009223
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
SMILESCOc1cccc(C2(N)CC3(CCC3)C2)c1
InChIInChI=1S/C14H19NO/c1-16-12-5-2-4-11(8-12)14(15)9-13(10-14)6-3-7-13/h2,4-5,8H,3,6-7,9-10,15H2,1H3
InChIKeyUPBGFRITQLQGSJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine
CID 65009335
N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide
CID 166428308

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine?
The IUPAC name of 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine (CID 65009223) is 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine?
The canonical SMILES for 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine is COc1cccc(C2(N)CC3(CCC3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine?
The InChIKey is UPBGFRITQLQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-12-5-2-4-11(8-12)14(15)9-13(10-14)6-3-7-13/h2,4-5,8H,3,6-7,9-10,15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine?
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine is sourced from PubChem (CID 65009223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).