(8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine

C13H15ClN2 — CID 83841721

IUPAC(8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
SMILESCc1ccc(Cl)c2c3c([nH]c12)C(CN)CC3
InChIInChI=1S/C13H15ClN2/c1-7-2-5-10(14)11-9-4-3-8(6-15)13(9)16-12(7)11/h2,5,8,16H,3-4,6,15H2,1H3
InChIKeyRKICVZFMTPWQMO-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.12
Rot. Bonds1

About (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine

(8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine (PubChem CID 83841721) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine.

Molecular Properties

Compound Name(8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
PubChem CID83841721
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name(8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
SMILESCc1ccc(Cl)c2c3c([nH]c12)C(CN)CC3
InChIInChI=1S/C13H15ClN2/c1-7-2-5-10(14)11-9-4-3-8(6-15)13(9)16-12(7)11/h2,5,8,16H,3-4,6,15H2,1H3
InChIKeyRKICVZFMTPWQMO-UHFFFAOYSA-N
XLogP3.12
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 83840077
1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630576
(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83868565
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 83868286
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84631512
5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 82386293
1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58607353
4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
CID 98770479
5-chloro-8-methyl-1H-quinazoline-2,4-dione
CID 114588951
8-chloro-2-(4-chlorophenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
CID 19348222

Frequently Asked Questions

What is the IUPAC name of (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
The IUPAC name of (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine (CID 83841721) is (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine.
What is the SMILES notation for (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
The canonical SMILES for (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine is Cc1ccc(Cl)c2c3c([nH]c12)C(CN)CC3.
What is the InChIKey of (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
The InChIKey is RKICVZFMTPWQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-7-2-5-10(14)11-9-4-3-8(6-15)13(9)16-12(7)11/h2,5,8,16H,3-4,6,15H2,1H3.
What are the key properties of (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine?
(8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine has a molecular weight of 234.73 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine is sourced from PubChem (CID 83841721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).