[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine

C16H24N2O — CID 115559132

IUPAC[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CC2CCCC2C1
InChIInChI=1S/C16H24N2O/c1-19-16-6-5-12(8-17)7-15(16)11-18-9-13-3-2-4-14(13)10-18/h5-7,13-14H,2-4,8-11,17H2,1H3
InChIKeyAGYLCVAXVHNNTC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.39
Rot. Bonds4

About [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine

[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine (PubChem CID 115559132) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
PubChem CID115559132
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CC2CCCC2C1
InChIInChI=1S/C16H24N2O/c1-19-16-6-5-12(8-17)7-15(16)11-18-9-13-3-2-4-14(13)10-18/h5-7,13-14H,2-4,8-11,17H2,1H3
InChIKeyAGYLCVAXVHNNTC-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]boronic acid
CID 115561279
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 63611034
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyaniline
CID 43620120
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63610193

Frequently Asked Questions

What is the IUPAC name of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine (CID 115559132) is [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CN1CC2CCCC2C1.
What is the InChIKey of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine?
The InChIKey is AGYLCVAXVHNNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-6-5-12(8-17)7-15(16)11-18-9-13-3-2-4-14(13)10-18/h5-7,13-14H,2-4,8-11,17H2,1H3.
What are the key properties of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine?
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 115559132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).