[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine

C16H23N — CID 65002721

IUPAC[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine
SMILESCc1ccccc1C1(CN)CC2(CCCC2)C1
InChIInChI=1S/C16H23N/c1-13-6-2-3-7-14(13)16(12-17)10-15(11-16)8-4-5-9-15/h2-3,6-7H,4-5,8-12,17H2,1H3
InChIKeyPGGGQMBYCBWGMH-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.55
Rot. Bonds2

About [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine

[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine (PubChem CID 65002721) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine
PubChem CID65002721
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine
SMILESCc1ccccc1C1(CN)CC2(CCCC2)C1
InChIInChI=1S/C16H23N/c1-13-6-2-3-7-14(13)16(12-17)10-15(11-16)8-4-5-9-15/h2-3,6-7H,4-5,8-12,17H2,1H3
InChIKeyPGGGQMBYCBWGMH-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
The IUPAC name of [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine (CID 65002721) is [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine is Cc1ccccc1C1(CN)CC2(CCCC2)C1.
What is the InChIKey of [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
The InChIKey is PGGGQMBYCBWGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13-6-2-3-7-14(13)16(12-17)10-15(11-16)8-4-5-9-15/h2-3,6-7H,4-5,8-12,17H2,1H3.
What are the key properties of [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine has a molecular weight of 229.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine is sourced from PubChem (CID 65002721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).