2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine

C19H21ClN2 — CID 12758180

IUPAC2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2/c1-14-17(18-4-2-3-5-19(18)22-14)11-13-21-12-10-15-6-8-16(20)9-7-15/h2-9,21-22H,10-13H2,1H3
InChIKeyCKFITQKBTAZBDF-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.50
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine

2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine (PubChem CID 12758180) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
PubChem CID12758180
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2/c1-14-17(18-4-2-3-5-19(18)22-14)11-13-21-12-10-15-6-8-16(20)9-7-15/h2-9,21-22H,10-13H2,1H3
InChIKeyCKFITQKBTAZBDF-UHFFFAOYSA-N
XLogP4.50
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 2049800
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine (CID 12758180) is 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine is Cc1[nH]c2ccccc2c1CCNCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine?
The InChIKey is CKFITQKBTAZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-14-17(18-4-2-3-5-19(18)22-14)11-13-21-12-10-15-6-8-16(20)9-7-15/h2-9,21-22H,10-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine?
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine has a molecular weight of 312.84 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 12758180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).