2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline

C16H15BrN2 — CID 102911718

IUPAC2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
SMILESCc1ccc(Br)c(NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H15BrN2/c1-11-2-4-14(17)16(8-11)19-10-12-3-5-15-13(9-12)6-7-18-15/h2-9,18-19H,10H2,1H3
InChIKeyMKWICEDKWYBUSY-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.85
Rot. Bonds3

About 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline

2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline (PubChem CID 102911718) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
PubChem CID102911718
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
SMILESCc1ccc(Br)c(NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H15BrN2/c1-11-2-4-14(17)16(8-11)19-10-12-3-5-15-13(9-12)6-7-18-15/h2-9,18-19H,10H2,1H3
InChIKeyMKWICEDKWYBUSY-UHFFFAOYSA-N
XLogP4.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
5-bromo-2,4-difluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102912272
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
2-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-5-methylaniline
CID 114076624
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline
CID 102910483
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-(1H-indol-6-ylmethyl)-5-methyl-2-nitroaniline
CID 102911772
2-bromo-N-(1H-indol-6-ylmethyl)-5-nitroaniline
CID 102911634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline?
The IUPAC name of 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline (CID 102911718) is 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline.
What is the SMILES notation for 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline?
The canonical SMILES for 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline is Cc1ccc(Br)c(NCc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline?
The InChIKey is MKWICEDKWYBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-11-2-4-14(17)16(8-11)19-10-12-3-5-15-13(9-12)6-7-18-15/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline?
2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline has a molecular weight of 315.21 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline is sourced from PubChem (CID 102911718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).