3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine

C18H19ClN2 — CID 58088597

IUPAC3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C18H19ClN2/c1-20-11-10-14(13-6-3-2-4-7-13)18-12-15-16(19)8-5-9-17(15)21-18/h2-9,12,14,20-21H,10-11H2,1H3
InChIKeyUZHFIVGLMYQAJV-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.56
Rot. Bonds5

About 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine

3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 58088597) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID58088597
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C18H19ClN2/c1-20-11-10-14(13-6-3-2-4-7-13)18-12-15-16(19)8-5-9-17(15)21-18/h2-9,12,14,20-21H,10-11H2,1H3
InChIKeyUZHFIVGLMYQAJV-UHFFFAOYSA-N
XLogP4.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine (CID 58088597) is 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is UZHFIVGLMYQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-20-11-10-14(13-6-3-2-4-7-13)18-12-15-16(19)8-5-9-17(15)21-18/h2-9,12,14,20-21H,10-11H2,1H3.
What are the key properties of 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine?
3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 298.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).