(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine

C15H19ClN2 — CID 82279351

IUPAC(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine
SMILESCc1[nH]c2ccc(Cl)cc2c1C(N)C1CCCC1
InChIInChI=1S/C15H19ClN2/c1-9-14(15(17)10-4-2-3-5-10)12-8-11(16)6-7-13(12)18-9/h6-8,10,15,18H,2-5,17H2,1H3
InChIKeyUSIXPMUFHAOKRS-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.32
Rot. Bonds2

About (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine

(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine (PubChem CID 82279351) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine
PubChem CID82279351
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine
SMILESCc1[nH]c2ccc(Cl)cc2c1C(N)C1CCCC1
InChIInChI=1S/C15H19ClN2/c1-9-14(15(17)10-4-2-3-5-10)12-8-11(16)6-7-13(12)18-9/h6-8,10,15,18H,2-5,17H2,1H3
InChIKeyUSIXPMUFHAOKRS-UHFFFAOYSA-N
XLogP4.32
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.32
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

cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 82279350
cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
CID 82279356
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
CID 171209698
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 63549324
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82279330
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine?
The IUPAC name of (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine (CID 82279351) is (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine.
What is the SMILES notation for (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine?
The canonical SMILES for (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine is Cc1[nH]c2ccc(Cl)cc2c1C(N)C1CCCC1.
What is the InChIKey of (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine?
The InChIKey is USIXPMUFHAOKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-9-14(15(17)10-4-2-3-5-10)12-8-11(16)6-7-13(12)18-9/h6-8,10,15,18H,2-5,17H2,1H3.
What are the key properties of (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine?
(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine has a molecular weight of 262.78 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine is sourced from PubChem (CID 82279351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).