[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine

C13H18N2 — CID 107804131

IUPAC[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine
SMILESCc1cccc(N2CC3(CC3)C2)c1CN
InChIInChI=1S/C13H18N2/c1-10-3-2-4-12(11(10)7-14)15-8-13(9-15)5-6-13/h2-4H,5-9,14H2,1H3
InChIKeyAXRQACUJYLDYMN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.05
Rot. Bonds2

About [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine

[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine (PubChem CID 107804131) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine
PubChem CID107804131
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine
SMILESCc1cccc(N2CC3(CC3)C2)c1CN
InChIInChI=1S/C13H18N2/c1-10-3-2-4-12(11(10)7-14)15-8-13(9-15)5-6-13/h2-4H,5-9,14H2,1H3
InChIKeyAXRQACUJYLDYMN-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-azaspiro[3.4]octan-2-yl)-6-fluorophenyl]methanamine
CID 79687416
[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
CID 79677460
[2-chloro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742908
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742897
[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
CID 79687008
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 115025944
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549

Frequently Asked Questions

What is the IUPAC name of [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine?
The IUPAC name of [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine (CID 107804131) is [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine.
What is the SMILES notation for [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine?
The canonical SMILES for [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine is Cc1cccc(N2CC3(CC3)C2)c1CN.
What is the InChIKey of [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine?
The InChIKey is AXRQACUJYLDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-3-2-4-12(11(10)7-14)15-8-13(9-15)5-6-13/h2-4H,5-9,14H2,1H3.
What are the key properties of [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine?
[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine is sourced from PubChem (CID 107804131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).