2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine

C16H24N2 — CID 115559657

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CN1CC2CCCC2C1
InChIInChI=1S/C16H24N2/c1-12-5-2-3-8-15(12)16(17)11-18-9-13-6-4-7-14(13)10-18/h2-3,5,8,13-14,16H,4,6-7,9-11,17H2,1H3
InChIKeyGCEDCCHSMBMPIC-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.73
Rot. Bonds3

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 115559657) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
PubChem CID115559657
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CN1CC2CCCC2C1
InChIInChI=1S/C16H24N2/c1-12-5-2-3-8-15(12)16(17)11-18-9-13-6-4-7-14(13)10-18/h2-3,5,8,13-14,16H,4,6-7,9-11,17H2,1H3
InChIKeyGCEDCCHSMBMPIC-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 43584428
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
CID 63611043
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
CID 114681980
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775535
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64658201

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine (CID 115559657) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CN1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is GCEDCCHSMBMPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-5-2-3-8-15(12)16(17)11-18-9-13-6-4-7-14(13)10-18/h2-3,5,8,13-14,16H,4,6-7,9-11,17H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 115559657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).