2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine

C17H16ClFN2 — CID 114859178

IUPAC2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2ccc(Cl)cc2F)c2ccccc12
InChIInChI=1S/C17H16ClFN2/c18-14-6-5-13(16(19)9-14)11-21-10-12(7-8-20)15-3-1-2-4-17(15)21/h1-6,9-10H,7-8,11,20H2
InChIKeyUAHWEHUWSMNKQD-UHFFFAOYSA-N
MW302.78 g/mol
LogP3.98
Rot. Bonds4

About 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine

2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine (PubChem CID 114859178) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
PubChem CID114859178
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2ccc(Cl)cc2F)c2ccccc12
InChIInChI=1S/C17H16ClFN2/c18-14-6-5-13(16(19)9-14)11-21-10-12(7-8-20)15-3-1-2-4-17(15)21/h1-6,9-10H,7-8,11,20H2
InChIKeyUAHWEHUWSMNKQD-UHFFFAOYSA-N
XLogP3.98
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-bromo-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 10247079
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
CID 170868083
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103049943
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
3-(2-aminoethyl)-1-benzylindol-5-ol
CID 175444394
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine (CID 114859178) is 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine is NCCc1cn(Cc2ccc(Cl)cc2F)c2ccccc12.
What is the InChIKey of 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine?
The InChIKey is UAHWEHUWSMNKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c18-14-6-5-13(16(19)9-14)11-21-10-12(7-8-20)15-3-1-2-4-17(15)21/h1-6,9-10H,7-8,11,20H2.
What are the key properties of 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine?
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine has a molecular weight of 302.78 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine is sourced from PubChem (CID 114859178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).