[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine

C15H22N2 — CID 102814225

IUPAC[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCC3CCCCC32)c1
InChIInChI=1S/C15H22N2/c16-11-12-4-3-6-14(10-12)17-9-8-13-5-1-2-7-15(13)17/h3-4,6,10,13,15H,1-2,5,7-9,11,16H2
InChIKeyURUVYFLXFJXYQM-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.91
Rot. Bonds2

About [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine

[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine (PubChem CID 102814225) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine
PubChem CID102814225
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCC3CCCCC32)c1
InChIInChI=1S/C15H22N2/c16-11-12-4-3-6-14(10-12)17-9-8-13-5-1-2-7-15(13)17/h3-4,6,10,13,15H,1-2,5,7-9,11,16H2
InChIKeyURUVYFLXFJXYQM-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297
1-[2-(chloromethyl)-4-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750360
1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one
CID 116979289
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43628447
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
CID 55025133
2-cyclohexyl-1-phenylpiperidine
CID 11736671
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 82749684
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 115025964
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65319251
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobenzamide
CID 82751006

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine?
The IUPAC name of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine (CID 102814225) is [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine is NCc1cccc(N2CCC3CCCCC32)c1.
What is the InChIKey of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine?
The InChIKey is URUVYFLXFJXYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-11-12-4-3-6-14(10-12)17-9-8-13-5-1-2-7-15(13)17/h3-4,6,10,13,15H,1-2,5,7-9,11,16H2.
What are the key properties of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine?
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine has a molecular weight of 230.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine is sourced from PubChem (CID 102814225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).