1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine

C15H19ClN2 — CID 117411581

IUPAC1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine
SMILESCc1c[nH]c2c(Cl)cc(C3(N)CCCCC3)cc12
InChIInChI=1S/C15H19ClN2/c1-10-9-18-14-12(10)7-11(8-13(14)16)15(17)5-3-2-4-6-15/h7-9,18H,2-6,17H2,1H3
InChIKeyCGPBYVDZWGSOIF-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.25
Rot. Bonds1

About 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine

1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine (PubChem CID 117411581) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine
PubChem CID117411581
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine
SMILESCc1c[nH]c2c(Cl)cc(C3(N)CCCCC3)cc12
InChIInChI=1S/C15H19ClN2/c1-10-9-18-14-12(10)7-11(8-13(14)16)15(17)5-3-2-4-6-15/h7-9,18H,2-6,17H2,1H3
InChIKeyCGPBYVDZWGSOIF-UHFFFAOYSA-N
XLogP4.25
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine (CID 117411581) is 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine is Cc1c[nH]c2c(Cl)cc(C3(N)CCCCC3)cc12.
What is the InChIKey of 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine?
The InChIKey is CGPBYVDZWGSOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10-9-18-14-12(10)7-11(8-13(14)16)15(17)5-3-2-4-6-15/h7-9,18H,2-6,17H2,1H3.
What are the key properties of 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine?
1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine has a molecular weight of 262.78 g/mol, XLogP of 4.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 117411581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).