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

C16H19ClN2 — CID 83207921

IUPAC2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(Cc3ccc(Cl)cc3)cc21
InChIInChI=1S/C16H19ClN2/c17-14-7-5-12(6-8-14)9-19-10-13-3-1-2-4-16(18)15(13)11-19/h5-8,10-11,16H,1-4,9,18H2
InChIKeyWHWNMOGTNORDAX-UHFFFAOYSA-N
MW274.79 g/mol
LogP3.92
Rot. Bonds2

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

2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83207921) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83207921
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(Cc3ccc(Cl)cc3)cc21
InChIInChI=1S/C16H19ClN2/c17-14-7-5-12(6-8-14)9-19-10-13-3-1-2-4-16(18)15(13)11-19/h5-8,10-11,16H,1-4,9,18H2
InChIKeyWHWNMOGTNORDAX-UHFFFAOYSA-N
XLogP3.92
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83207921) is 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is NC1CCCCc2cn(Cc3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is WHWNMOGTNORDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c17-14-7-5-12(6-8-14)9-19-10-13-3-1-2-4-16(18)15(13)11-19/h5-8,10-11,16H,1-4,9,18H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 274.79 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83207921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).