[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine

C17H25NO — CID 65002969

IUPAC[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
SMILESCOc1cc(C2(CN)CC3(CCCC3)C2)ccc1C
InChIInChI=1S/C17H25NO/c1-13-5-6-14(9-15(13)19-2)17(12-18)10-16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10-12,18H2,1-2H3
InChIKeyDLXADGQZUWKMEF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.55
Rot. Bonds3

About [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine

[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine (PubChem CID 65002969) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
PubChem CID65002969
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
SMILESCOc1cc(C2(CN)CC3(CCCC3)C2)ccc1C
InChIInChI=1S/C17H25NO/c1-13-5-6-14(9-15(13)19-2)17(12-18)10-16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10-12,18H2,1-2H3
InChIKeyDLXADGQZUWKMEF-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008450
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003118
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine
CID 65006110
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
The IUPAC name of [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine (CID 65002969) is [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine.
What is the SMILES notation for [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
The canonical SMILES for [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine is COc1cc(C2(CN)CC3(CCCC3)C2)ccc1C.
What is the InChIKey of [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
The InChIKey is DLXADGQZUWKMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-5-6-14(9-15(13)19-2)17(12-18)10-16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10-12,18H2,1-2H3.
What are the key properties of [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine?
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine is sourced from PubChem (CID 65002969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).