4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline

C15H12BrClN2 — CID 107619291

IUPAC4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
SMILESClc1cc(NCc2ccc3cc[nH]c3c2)ccc1Br
InChIInChI=1S/C15H12BrClN2/c16-13-4-3-12(8-14(13)17)19-9-10-1-2-11-5-6-18-15(11)7-10/h1-8,18-19H,9H2
InChIKeyFTHQYFPLPAJZBU-UHFFFAOYSA-N
MW335.63 g/mol
LogP5.20
Rot. Bonds3

About 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline

4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline (PubChem CID 107619291) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
PubChem CID107619291
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
SMILESClc1cc(NCc2ccc3cc[nH]c3c2)ccc1Br
InChIInChI=1S/C15H12BrClN2/c16-13-4-3-12(8-14(13)17)19-9-10-1-2-11-5-6-18-15(11)7-10/h1-8,18-19H,9H2
InChIKeyFTHQYFPLPAJZBU-UHFFFAOYSA-N
XLogP5.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.63
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 102910164
3-chloro-N-(1H-indol-6-ylmethyl)-4-nitroaniline
CID 102911732
3-chloro-4-ethoxy-N-(1H-indol-6-ylmethyl)aniline
CID 102910079
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102909447
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
4-bromo-3-chloro-N-(1H-indol-4-ylmethyl)aniline
CID 107618761

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline (CID 107619291) is 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline is Clc1cc(NCc2ccc3cc[nH]c3c2)ccc1Br.
What is the InChIKey of 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline?
The InChIKey is FTHQYFPLPAJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c16-13-4-3-12(8-14(13)17)19-9-10-1-2-11-5-6-18-15(11)7-10/h1-8,18-19H,9H2.
What are the key properties of 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline?
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline has a molecular weight of 335.63 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline is sourced from PubChem (CID 107619291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).