2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine

C16H20BrN3 — CID 115147522

IUPAC2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(NCC(C)(C)c2ccc(Br)cc2)ncc1N
InChIInChI=1S/C16H20BrN3/c1-11-8-15(19-9-14(11)18)20-10-16(2,3)12-4-6-13(17)7-5-12/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyRBLYXIJNLNGJTR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.12
Rot. Bonds4

About 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine

2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine (PubChem CID 115147522) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine
PubChem CID115147522
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(NCC(C)(C)c2ccc(Br)cc2)ncc1N
InChIInChI=1S/C16H20BrN3/c1-11-8-15(19-9-14(11)18)20-10-16(2,3)12-4-6-13(17)7-5-12/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyRBLYXIJNLNGJTR-UHFFFAOYSA-N
XLogP4.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine
CID 115147521
4-N-[2-(4-bromophenyl)-2-methylpropyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265606
6-[[2-(4-bromophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 115143141
1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243671
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine
CID 115124663
1-N-[2-(4-bromophenyl)-2-methylpropyl]-4-fluorobenzene-1,2-diamine
CID 115124889
2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
CID 106899259
2-N-(2,4-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 79173349
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine (CID 115147522) is 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine is Cc1cc(NCC(C)(C)c2ccc(Br)cc2)ncc1N.
What is the InChIKey of 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine?
The InChIKey is RBLYXIJNLNGJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-8-15(19-9-14(11)18)20-10-16(2,3)12-4-6-13(17)7-5-12/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine?
2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine has a molecular weight of 334.26 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-bromophenyl)-2-methylpropyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 115147522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).