3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

C18H18ClFN2 — CID 59831652

IUPAC3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cccc(F)c1)c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C18H18ClFN2/c1-21-7-6-16(12-3-2-4-15(20)10-12)14-9-13-5-8-22-18(13)17(19)11-14/h2-5,8-11,16,21-22H,6-7H2,1H3
InChIKeyAQDKVHKDPHQILP-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.70
Rot. Bonds5

About 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine

3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 59831652) has the molecular formula C18H18ClFN2 and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID59831652
Molecular FormulaC18H18ClFN2
Molecular Weight316.81 g/mol
Exact Mass316.11
IUPAC Name3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cccc(F)c1)c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C18H18ClFN2/c1-21-7-6-16(12-3-2-4-15(20)10-12)14-9-13-5-8-22-18(13)17(19)11-14/h2-5,8-11,16,21-22H,6-7H2,1H3
InChIKeyAQDKVHKDPHQILP-UHFFFAOYSA-N
XLogP4.70
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine (CID 59831652) is 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is CNCCC(c1cccc(F)c1)c1cc(Cl)c2[nH]ccc2c1.
What is the InChIKey of 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is AQDKVHKDPHQILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2/c1-21-7-6-16(12-3-2-4-15(20)10-12)14-9-13-5-8-22-18(13)17(19)11-14/h2-5,8-11,16,21-22H,6-7H2,1H3.
What are the key properties of 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine?
3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 316.81 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1H-indol-5-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 59831652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).