2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine

C18H18Cl2N2 — CID 83975787

IUPAC2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(CC(CN)c2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C18H18Cl2N2/c1-22-11-13(14-5-2-3-8-17(14)22)9-12(10-21)15-6-4-7-16(19)18(15)20/h2-8,11-12H,9-10,21H2,1H3
InChIKeyVKHHFSVPIBCMND-UHFFFAOYSA-N
MW333.26 g/mol
LogP4.77
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine

2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine (PubChem CID 83975787) has the molecular formula C18H18Cl2N2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
PubChem CID83975787
Molecular FormulaC18H18Cl2N2
Molecular Weight333.26 g/mol
Exact Mass332.08
IUPAC Name2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(CC(CN)c2cccc(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C18H18Cl2N2/c1-22-11-13(14-5-2-3-8-17(14)22)9-12(10-21)15-6-4-7-16(19)18(15)20/h2-8,11-12H,9-10,21H2,1H3
InChIKeyVKHHFSVPIBCMND-UHFFFAOYSA-N
XLogP4.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975209
2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83974313
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213
2-(2,3-dichlorophenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83975793
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine
CID 82021282
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975783
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine (CID 83975787) is 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine is Cn1cc(CC(CN)c2cccc(Cl)c2Cl)c2ccccc21.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
The InChIKey is VKHHFSVPIBCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2/c1-22-11-13(14-5-2-3-8-17(14)22)9-12(10-21)15-6-4-7-16(19)18(15)20/h2-8,11-12H,9-10,21H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine?
2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine has a molecular weight of 333.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 83975787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).