3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine

C17H16Cl2N2 — CID 83976328

IUPAC3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
SMILESNCC(Cc1c(Cl)cccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16Cl2N2/c18-15-5-3-6-16(19)13(15)8-11(9-20)14-10-21-17-7-2-1-4-12(14)17/h1-7,10-11,21H,8-9,20H2
InChIKeyAAIDUEMNGAMNLY-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.76
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine

3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine (PubChem CID 83976328) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
PubChem CID83976328
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
SMILESNCC(Cc1c(Cl)cccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16Cl2N2/c18-15-5-3-6-16(19)13(15)8-11(9-20)14-10-21-17-7-2-1-4-12(14)17/h1-7,10-11,21H,8-9,20H2
InChIKeyAAIDUEMNGAMNLY-UHFFFAOYSA-N
XLogP4.76
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976343
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
CID 45101575
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine
CID 136822601

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine (CID 83976328) is 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine is NCC(Cc1c(Cl)cccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine?
The InChIKey is AAIDUEMNGAMNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c18-15-5-3-6-16(19)13(15)8-11(9-20)14-10-21-17-7-2-1-4-12(14)17/h1-7,10-11,21H,8-9,20H2.
What are the key properties of 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine?
3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine has a molecular weight of 319.24 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).