2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine

C17H16Cl2N2 — CID 107309943

IUPAC2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
SMILESNCCc1ccc2ccn(Cc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C17H16Cl2N2/c18-15-3-1-2-14(17(15)19)11-21-9-7-13-5-4-12(6-8-20)10-16(13)21/h1-5,7,9-10H,6,8,11,20H2
InChIKeyKQAUIHGQSJLUOF-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.50
Rot. Bonds4

About 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine

2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine (PubChem CID 107309943) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
PubChem CID107309943
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
SMILESNCCc1ccc2ccn(Cc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C17H16Cl2N2/c18-15-3-1-2-14(17(15)19)11-21-9-7-13-5-4-12(6-8-20)10-16(13)21/h1-5,7,9-10H,6,8,11,20H2
InChIKeyKQAUIHGQSJLUOF-UHFFFAOYSA-N
XLogP4.50
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-chloro-3-fluorophenyl)methyl]indol-6-yl]ethanamine
CID 102917786
2-[1-[(3-chloro-4-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917723
1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 107307311
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767
2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
CID 107053881
2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
CID 102917753
1-[(2-chlorophenyl)methyl]indole-6-carbothioamide
CID 107917358
2-[[6-(aminomethyl)indol-1-yl]methyl]benzonitrile
CID 102916437
[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine
CID 107307260
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623355

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine?
The IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine (CID 107309943) is 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine?
The canonical SMILES for 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine is NCCc1ccc2ccn(Cc3cccc(Cl)c3Cl)c2c1.
What is the InChIKey of 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine?
The InChIKey is KQAUIHGQSJLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c18-15-3-1-2-14(17(15)19)11-21-9-7-13-5-4-12(6-8-20)10-16(13)21/h1-5,7,9-10H,6,8,11,20H2.
What are the key properties of 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine?
2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine has a molecular weight of 319.24 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine is sourced from PubChem (CID 107309943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).