2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine

C15H19ClN2 — CID 54405033

IUPAC2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine
SMILESCc1cc(Cl)c2[nH]cc(C3CCCCC3N)c2c1
InChIInChI=1S/C15H19ClN2/c1-9-6-11-12(8-18-15(11)13(16)7-9)10-4-2-3-5-14(10)17/h6-8,10,14,18H,2-5,17H2,1H3
InChIKeyVQBWENWWXSBVQJ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.11
Rot. Bonds1

About 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine

2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine (PubChem CID 54405033) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine
PubChem CID54405033
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine
SMILESCc1cc(Cl)c2[nH]cc(C3CCCCC3N)c2c1
InChIInChI=1S/C15H19ClN2/c1-9-6-11-12(8-18-15(11)13(16)7-9)10-4-2-3-5-14(10)17/h6-8,10,14,18H,2-5,17H2,1H3
InChIKeyVQBWENWWXSBVQJ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine (CID 54405033) is 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine is Cc1cc(Cl)c2[nH]cc(C3CCCCC3N)c2c1.
What is the InChIKey of 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine?
The InChIKey is VQBWENWWXSBVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-9-6-11-12(8-18-15(11)13(16)7-9)10-4-2-3-5-14(10)17/h6-8,10,14,18H,2-5,17H2,1H3.
What are the key properties of 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine?
2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine has a molecular weight of 262.78 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 54405033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).