[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine

C14H19NO — CID 65008436

IUPAC[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESCOc1cccc(C2(CN)CC3(CC3)C2)c1
InChIInChI=1S/C14H19NO/c1-16-12-4-2-3-11(7-12)14(10-15)8-13(9-14)5-6-13/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyQLGXONWNBXVQKL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.47
Rot. Bonds3

About [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine

[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine (PubChem CID 65008436) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
PubChem CID65008436
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESCOc1cccc(C2(CN)CC3(CC3)C2)c1
InChIInChI=1S/C14H19NO/c1-16-12-4-2-3-11(7-12)14(10-15)8-13(9-14)5-6-13/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyQLGXONWNBXVQKL-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003118
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393
[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine
CID 115040907
1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154955573
[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008172
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
CID 174481601
[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The IUPAC name of [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine (CID 65008436) is [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine.
What is the SMILES notation for [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The canonical SMILES for [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine is COc1cccc(C2(CN)CC3(CC3)C2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The InChIKey is QLGXONWNBXVQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-12-4-2-3-11(7-12)14(10-15)8-13(9-14)5-6-13/h2-4,7H,5-6,8-10,15H2,1H3.
What are the key properties of [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine is sourced from PubChem (CID 65008436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).