2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine

C24H32N2 — CID 70843019

IUPAC2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine
SMILESCC1C=c2c3c(n(CCc4ccccc4)c2=CC1C)CCCC(C)(N)C3
InChIInChI=1S/C24H32N2/c1-17-14-20-21-16-24(3,25)12-7-10-22(21)26(23(20)15-18(17)2)13-11-19-8-5-4-6-9-19/h4-6,8-9,14-15,17-18H,7,10-13,16,25H2,1-3H3
InChIKeyFNWBKWCPSJFNLK-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.17
Rot. Bonds3

About 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine

2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine (PubChem CID 70843019) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine.

Molecular Properties

Compound Name2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine
PubChem CID70843019
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine
SMILESCC1C=c2c3c(n(CCc4ccccc4)c2=CC1C)CCCC(C)(N)C3
InChIInChI=1S/C24H32N2/c1-17-14-20-21-16-24(3,25)12-7-10-22(21)26(23(20)15-18(17)2)13-11-19-8-5-4-6-9-19/h4-6,8-9,14-15,17-18H,7,10-13,16,25H2,1-3H3
InChIKeyFNWBKWCPSJFNLK-UHFFFAOYSA-N
XLogP3.17
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine?
The IUPAC name of 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine (CID 70843019) is 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine.
What is the SMILES notation for 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine?
The canonical SMILES for 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine is CC1C=c2c3c(n(CCc4ccccc4)c2=CC1C)CCCC(C)(N)C3.
What is the InChIKey of 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine?
The InChIKey is FNWBKWCPSJFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-17-14-20-21-16-24(3,25)12-7-10-22(21)26(23(20)15-18(17)2)13-11-19-8-5-4-6-9-19/h4-6,8-9,14-15,17-18H,7,10-13,16,25H2,1-3H3.
What are the key properties of 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine?
2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine has a molecular weight of 348.53 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-trimethyl-5-(2-phenylethyl)-2,3,6,7,8,10-hexahydrocyclohepta[b]indol-9-amine is sourced from PubChem (CID 70843019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).