3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine

C18H18ClFN2 — CID 170868083

IUPAC3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
SMILESNCCCc1cn(Cc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C18H18ClFN2/c19-16-7-3-8-17(20)15(16)12-22-11-13(5-4-10-21)14-6-1-2-9-18(14)22/h1-3,6-9,11H,4-5,10,12,21H2
InChIKeyZKARFFZIQCCPNN-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.37
Rot. Bonds5

About 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine

3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine (PubChem CID 170868083) has the molecular formula C18H18ClFN2 and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
PubChem CID170868083
Molecular FormulaC18H18ClFN2
Molecular Weight316.81 g/mol
Exact Mass316.11
IUPAC Name3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
SMILESNCCCc1cn(Cc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C18H18ClFN2/c19-16-7-3-8-17(20)15(16)12-22-11-13(5-4-10-21)14-6-1-2-9-18(14)22/h1-3,6-9,11H,4-5,10,12,21H2
InChIKeyZKARFFZIQCCPNN-UHFFFAOYSA-N
XLogP4.37
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]-pyrrolidin-1-ylmethanethione
CID 1303214
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
1-[(2-chloro-6-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771888
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
2-[1-[(4-bromo-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 10247079
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine (CID 170868083) is 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine is NCCCc1cn(Cc2c(F)cccc2Cl)c2ccccc12.
What is the InChIKey of 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine?
The InChIKey is ZKARFFZIQCCPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2/c19-16-7-3-8-17(20)15(16)12-22-11-13(5-4-10-21)14-6-1-2-9-18(14)22/h1-3,6-9,11H,4-5,10,12,21H2.
What are the key properties of 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine?
3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine has a molecular weight of 316.81 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine is sourced from PubChem (CID 170868083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).