2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C17H22N2 — CID 83208236

IUPAC2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(CCc3ccccc3)cc21
InChIInChI=1S/C17H22N2/c18-17-9-5-4-8-15-12-19(13-16(15)17)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,17H,4-5,8-11,18H2
InChIKeyDMMMXFNNGHFOOS-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208236) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208236
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(CCc3ccccc3)cc21
InChIInChI=1S/C17H22N2/c18-17-9-5-4-8-15-12-19(13-16(15)17)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,17H,4-5,8-11,18H2
InChIKeyDMMMXFNNGHFOOS-UHFFFAOYSA-N
XLogP3.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(1H-pyrrol-1-yl)piperidine
CID 2779264
2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene
CID 9815594
2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene(DUB-165)
CID 44266824
6,10-Dimethyl-6,10-diazatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),4,13,15-pentaene
CID 9992499
3-Methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 4622927
(-)-3-(1-(Phenylmethyl)-2-pyrrolidinyl)pyridine
CID 6451351
3-Ethyl-5-(1-methyl-pyrrolidin-2-yl)-pyridine
CID 10845377
1-Benzyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 53323185
2-(4-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-2-ene
CID 9993609
2-(5-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-2-ene
CID 44327878
2-(6-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-2-ene
CID 44327921
3-(1-Methylpyrrolidin-2-yl)-5-propylpyridine
CID 44403330

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208236) is 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is NC1CCCCc2cn(CCc3ccccc3)cc21.
What is the InChIKey of 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is DMMMXFNNGHFOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-17-9-5-4-8-15-12-19(13-16(15)17)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,17H,4-5,8-11,18H2.
What are the key properties of 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 254.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).