2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride

C16H15Cl2FN2 — CID 171644395

IUPAC2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1cc(-c2cc3ccccc3[nH]2)c(Cl)cc1F
InChIInChI=1S/C16H14ClFN2.ClH/c17-13-9-14(18)10(5-6-19)7-12(13)16-8-11-3-1-2-4-15(11)20-16;/h1-4,7-9,20H,5-6,19H2;1H
InChIKeyZBPBWNUBGJSDGX-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.55
Rot. Bonds3

About 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride

2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride (PubChem CID 171644395) has the molecular formula C16H15Cl2FN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride
PubChem CID171644395
Molecular FormulaC16H15Cl2FN2
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1cc(-c2cc3ccccc3[nH]2)c(Cl)cc1F
InChIInChI=1S/C16H14ClFN2.ClH/c17-13-9-14(18)10(5-6-19)7-12(13)16-8-11-3-1-2-4-15(11)20-16;/h1-4,7-9,20H,5-6,19H2;1H
InChIKeyZBPBWNUBGJSDGX-UHFFFAOYSA-N
XLogP4.55
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine
CID 171644604
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
1-[(3R)-1-acetylpiperidin-3-yl]-3-[2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethyl]-1-methylurea
CID 171644459
3-chloro-4-(1H-indol-2-yl)benzonitrile
CID 54373551
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
2,4-dichloro-6-(1H-indol-2-yl)phenol
CID 142650101
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
2-(6-fluoro-1H-indol-5-yl)ethanamine
CID 82410055
4-(1H-indol-2-yl)-3-methylaniline
CID 141440028
2-(2-benzylphenyl)-1H-indole
CID 23325485
2-chloro-4-(1H-indol-2-yl)aniline
CID 150315319
2-(2-iodophenyl)-1H-indole
CID 12996175

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride (CID 171644395) is 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride is Cl.NCCc1cc(-c2cc3ccccc3[nH]2)c(Cl)cc1F.
What is the InChIKey of 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride?
The InChIKey is ZBPBWNUBGJSDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2.ClH/c17-13-9-14(18)10(5-6-19)7-12(13)16-8-11-3-1-2-4-15(11)20-16;/h1-4,7-9,20H,5-6,19H2;1H.
What are the key properties of 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride?
2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride has a molecular weight of 325.21 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-fluoro-5-(1H-indol-2-yl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171644395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).