4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine

C13H14BrN3 — CID 61358641

IUPAC4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
SMILESCN(Cc1ccccc1Br)c1ccncc1N
InChIInChI=1S/C13H14BrN3/c1-17(13-6-7-16-8-12(13)15)9-10-4-2-3-5-11(10)14/h2-8H,9,15H2,1H3
InChIKeyOIRPDMHOERCSHN-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.06
Rot. Bonds3

About 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine

4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine (PubChem CID 61358641) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
PubChem CID61358641
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
SMILESCN(Cc1ccccc1Br)c1ccncc1N
InChIInChI=1S/C13H14BrN3/c1-17(13-6-7-16-8-12(13)15)9-10-4-2-3-5-11(10)14/h2-8H,9,15H2,1H3
InChIKeyOIRPDMHOERCSHN-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
CID 62698618
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747402
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
CID 79841413
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
CID 61360192
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbenzene-1,2-diamine
CID 114041193
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
4-[(2-bromophenyl)methoxy]pyridin-3-amine
CID 82828460
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide
CID 61358055

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine (CID 61358641) is 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine is CN(Cc1ccccc1Br)c1ccncc1N.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine?
The InChIKey is OIRPDMHOERCSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-17(13-6-7-16-8-12(13)15)9-10-4-2-3-5-11(10)14/h2-8H,9,15H2,1H3.
What are the key properties of 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine?
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine has a molecular weight of 292.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 61358641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).