2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine

C17H16ClFN2 — CID 102917161

IUPAC2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(Cc3cc(F)ccc3Cl)c12
InChIInChI=1S/C17H16ClFN2/c18-16-5-4-15(19)10-14(16)11-21-9-7-13-3-1-2-12(6-8-20)17(13)21/h1-5,7,9-10H,6,8,11,20H2
InChIKeyCKEYDRLAKSBYIW-UHFFFAOYSA-N
MW302.78 g/mol
LogP3.98
Rot. Bonds4

About 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine

2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine (PubChem CID 102917161) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
PubChem CID102917161
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
SMILESNCCc1cccc2ccn(Cc3cc(F)ccc3Cl)c12
InChIInChI=1S/C17H16ClFN2/c18-16-5-4-15(19)10-14(16)11-21-9-7-13-3-1-2-12(6-8-20)17(13)21/h1-5,7,9-10H,6,8,11,20H2
InChIKeyCKEYDRLAKSBYIW-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine?
The IUPAC name of 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine (CID 102917161) is 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine is NCCc1cccc2ccn(Cc3cc(F)ccc3Cl)c12.
What is the InChIKey of 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine?
The InChIKey is CKEYDRLAKSBYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c18-16-5-4-15(19)10-14(16)11-21-9-7-13-3-1-2-12(6-8-20)17(13)21/h1-5,7,9-10H,6,8,11,20H2.
What are the key properties of 2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine?
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-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-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine is sourced from PubChem (CID 102917161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).