2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine

C16H20BrN3 — CID 103182152

IUPAC2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CN(C)Cc2cccc(Br)c2)c(C)c1N
InChIInChI=1S/C16H20BrN3/c1-11-8-19-15(12(2)16(11)18)10-20(3)9-13-5-4-6-14(17)7-13/h4-8H,9-10H2,1-3H3,(H2,18,19)
InChIKeyIMNUATLXOXQMJK-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.68
Rot. Bonds4

About 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine

2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103182152) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
PubChem CID103182152
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CN(C)Cc2cccc(Br)c2)c(C)c1N
InChIInChI=1S/C16H20BrN3/c1-11-8-19-15(12(2)16(11)18)10-20(3)9-13-5-4-6-14(17)7-13/h4-8H,9-10H2,1-3H3,(H2,18,19)
InChIKeyIMNUATLXOXQMJK-UHFFFAOYSA-N
XLogP3.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine
CID 103056056
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 62465546
[3-[[(3-bromophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62893469
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182133
2-[[methoxy(methyl)amino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182114
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
3-[[(3-bromophenyl)methyl-methylamino]methyl]-4-chloroaniline
CID 61415895
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182335

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine (CID 103182152) is 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine is Cc1cnc(CN(C)Cc2cccc(Br)c2)c(C)c1N.
What is the InChIKey of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is IMNUATLXOXQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-8-19-15(12(2)16(11)18)10-20(3)9-13-5-4-6-14(17)7-13/h4-8H,9-10H2,1-3H3,(H2,18,19).
What are the key properties of 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine?
2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103182152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).