3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine

C15H18BrN3 — CID 104506952

IUPAC3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)CCc2ccccc2)c1Br
InChIInChI=1S/C15H18BrN3/c1-11-13(17)10-18-15(14(11)16)19(2)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,17H2,1-2H3
InChIKeyFMSLVZGCOOAWSZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.41
Rot. Bonds4

About 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine

3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine (PubChem CID 104506952) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
PubChem CID104506952
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)CCc2ccccc2)c1Br
InChIInChI=1S/C15H18BrN3/c1-11-13(17)10-18-15(14(11)16)19(2)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,17H2,1-2H3
InChIKeyFMSLVZGCOOAWSZ-UHFFFAOYSA-N
XLogP3.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
5-(aminomethyl)-N,3-dimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 80636098
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
CID 113228940
3-(N-(5-amino-3-bromo-4-methyl-2-pyridinyl)anilino)propanenitrile
CID 104506211
5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine
CID 65486119
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
CID 104506702
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine (CID 104506952) is 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine is Cc1c(N)cnc(N(C)CCc2ccccc2)c1Br.
What is the InChIKey of 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine?
The InChIKey is FMSLVZGCOOAWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-13(17)10-18-15(14(11)16)19(2)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine?
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine has a molecular weight of 320.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).