4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine

C13H15ClN2 — CID 107384143

IUPAC4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
SMILESNC1CCCCc2[nH]c3c(Cl)cccc3c21
InChIInChI=1S/C13H15ClN2/c14-9-5-3-4-8-12-10(15)6-1-2-7-11(12)16-13(8)9/h3-5,10,16H,1-2,6-7,15H2
InChIKeyIOVHAOBEZNNIBU-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.55
Rot. Bonds

About 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine

4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine (PubChem CID 107384143) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine.

Molecular Properties

Compound Name4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
PubChem CID107384143
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
SMILESNC1CCCCc2[nH]c3c(Cl)cccc3c21
InChIInChI=1S/C13H15ClN2/c14-9-5-3-4-8-12-10(15)6-1-2-7-11(12)16-13(8)9/h3-5,10,16H,1-2,6-7,15H2
InChIKeyIOVHAOBEZNNIBU-UHFFFAOYSA-N
XLogP3.55
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333032
(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 28744121
8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 14415821
5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
CID 65333031
1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
CID 107384140
3-tert-butyl-8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 65335078
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333028
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65332552
3-bromo-7-chloro-2-piperidin-3-yl-1H-indole
CID 84645512
2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
CID 84741842
1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
CID 84742733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
The IUPAC name of 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine (CID 107384143) is 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine.
What is the SMILES notation for 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
The canonical SMILES for 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine is NC1CCCCc2[nH]c3c(Cl)cccc3c21.
What is the InChIKey of 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
The InChIKey is IOVHAOBEZNNIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-9-5-3-4-8-12-10(15)6-1-2-7-11(12)16-13(8)9/h3-5,10,16H,1-2,6-7,15H2.
What are the key properties of 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine has a molecular weight of 234.73 g/mol, XLogP of 3.55, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine is sourced from PubChem (CID 107384143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).