3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline

C15H12ClFN2 — CID 102909401

IUPAC3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
SMILESFc1c(Cl)cccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H12ClFN2/c16-12-2-1-3-13(15(12)17)19-9-10-4-5-11-6-7-18-14(11)8-10/h1-8,18-19H,9H2
InChIKeyGVKPRRHUKMKBIF-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.57
Rot. Bonds3

About 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline

3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline (PubChem CID 102909401) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
PubChem CID102909401
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
SMILESFc1c(Cl)cccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H12ClFN2/c16-12-2-1-3-13(15(12)17)19-9-10-4-5-11-6-7-18-14(11)8-10/h1-8,18-19H,9H2
InChIKeyGVKPRRHUKMKBIF-UHFFFAOYSA-N
XLogP4.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102909447
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
3-chloro-2-fluoro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408927
6-chloro-N-(1H-indol-6-ylmethyl)-1,3-benzodioxol-5-amine
CID 102909590
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline
CID 81436139
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-fluoroaniline
CID 60868787
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115523563
2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102909199

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline?
The IUPAC name of 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline (CID 102909401) is 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline is Fc1c(Cl)cccc1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline?
The InChIKey is GVKPRRHUKMKBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-12-2-1-3-13(15(12)17)19-9-10-4-5-11-6-7-18-14(11)8-10/h1-8,18-19H,9H2.
What are the key properties of 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline?
3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline has a molecular weight of 274.73 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline is sourced from PubChem (CID 102909401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).