3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

C14H14BrClN2 — CID 114836684

IUPAC3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C14H14BrClN2/c1-10-3-5-11(6-4-10)9-18(2)14-13(15)7-12(16)8-17-14/h3-8H,9H2,1-2H3
InChIKeyAETGSCILMPMVQV-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.44
Rot. Bonds3

About 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 114836684) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID114836684
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C14H14BrClN2/c1-10-3-5-11(6-4-10)9-18(2)14-13(15)7-12(16)8-17-14/h3-8H,9H2,1-2H3
InChIKeyAETGSCILMPMVQV-UHFFFAOYSA-N
XLogP4.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
CID 105366500
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712
5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66340835
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 62000732
N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
CID 114836415
5-bromo-2-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 79075988

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 114836684) is 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(CN(C)c2ncc(Cl)cc2Br)cc1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is AETGSCILMPMVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-10-3-5-11(6-4-10)9-18(2)14-13(15)7-12(16)8-17-14/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114836684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).