6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole

C16H13BrClN — CID 106869999

IUPAC6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3ccc(Br)cc32)c(Cl)c1
InChIInChI=1S/C16H13BrClN/c1-11-2-3-13(15(18)8-11)10-19-7-6-12-4-5-14(17)9-16(12)19/h2-9H,10H2,1H3
InChIKeyVLUDEIDVSGCDFD-UHFFFAOYSA-N
MW334.64 g/mol
LogP5.41
Rot. Bonds2

About 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole

6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole (PubChem CID 106869999) has the molecular formula C16H13BrClN and a molecular weight of 334.64 g/mol. Its IUPAC name is 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole.

Molecular Properties

Compound Name6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
PubChem CID106869999
Molecular FormulaC16H13BrClN
Molecular Weight334.64 g/mol
Exact Mass332.99
IUPAC Name6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3ccc(Br)cc32)c(Cl)c1
InChIInChI=1S/C16H13BrClN/c1-11-2-3-13(15(18)8-11)10-19-7-6-12-4-5-14(17)9-16(12)19/h2-9H,10H2,1H3
InChIKeyVLUDEIDVSGCDFD-UHFFFAOYSA-N
XLogP5.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.64
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
6-bromo-1-[(2,5-dimethylphenyl)methyl]indole
CID 116621819
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
CID 115614073
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114485977
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690
3-bromo-5-[(6-methylindol-1-yl)methyl]aniline
CID 103350079
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole?
The IUPAC name of 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole (CID 106869999) is 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole.
What is the SMILES notation for 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole?
The canonical SMILES for 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole is Cc1ccc(Cn2ccc3ccc(Br)cc32)c(Cl)c1.
What is the InChIKey of 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole?
The InChIKey is VLUDEIDVSGCDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN/c1-11-2-3-13(15(18)8-11)10-19-7-6-12-4-5-14(17)9-16(12)19/h2-9H,10H2,1H3.
What are the key properties of 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole?
6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole has a molecular weight of 334.64 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole is sourced from PubChem (CID 106869999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).