4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride

C15H13Cl2FN2 — CID 17221843

IUPAC4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
SMILESCl.Fc1cc(NCc2ccc3[nH]ccc3c2)ccc1Cl
InChIInChI=1S/C15H12ClFN2.ClH/c16-13-3-2-12(8-14(13)17)19-9-10-1-4-15-11(7-10)5-6-18-15;/h1-8,18-19H,9H2;1H
InChIKeyOLQJXYAFJDSXCV-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.99
Rot. Bonds3

About 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride

4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride (PubChem CID 17221843) has the molecular formula C15H13Cl2FN2 and a molecular weight of 311.19 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
PubChem CID17221843
Molecular FormulaC15H13Cl2FN2
Molecular Weight311.19 g/mol
Exact Mass310.04
IUPAC Name4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
SMILESCl.Fc1cc(NCc2ccc3[nH]ccc3c2)ccc1Cl
InChIInChI=1S/C15H12ClFN2.ClH/c16-13-3-2-12(8-14(13)17)19-9-10-1-4-15-11(7-10)5-6-18-15;/h1-8,18-19H,9H2;1H
InChIKeyOLQJXYAFJDSXCV-UHFFFAOYSA-N
XLogP4.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
CID 114841443
2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102909199
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride?
The IUPAC name of 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride (CID 17221843) is 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride.
What is the SMILES notation for 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride?
The canonical SMILES for 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride is Cl.Fc1cc(NCc2ccc3[nH]ccc3c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride?
The InChIKey is OLQJXYAFJDSXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2.ClH/c16-13-3-2-12(8-14(13)17)19-9-10-1-4-15-11(7-10)5-6-18-15;/h1-8,18-19H,9H2;1H.
What are the key properties of 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride?
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride has a molecular weight of 311.19 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride is sourced from PubChem (CID 17221843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).