3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine

C12H13BrN2O — CID 106876742

IUPAC3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)Cc2ccoc2)c1Br
InChIInChI=1S/C12H13BrN2O/c1-9-3-5-14-12(11(9)13)15(2)7-10-4-6-16-8-10/h3-6,8H,7H2,1-2H3
InChIKeyKNBBOWHYFQIMKL-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.38
Rot. Bonds3

About 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine

3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine (PubChem CID 106876742) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
PubChem CID106876742
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)Cc2ccoc2)c1Br
InChIInChI=1S/C12H13BrN2O/c1-9-3-5-14-12(11(9)13)15(2)7-10-4-6-16-8-10/h3-6,8H,7H2,1-2H3
InChIKeyKNBBOWHYFQIMKL-UHFFFAOYSA-N
XLogP3.38
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 106876592
3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 55107661
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 79075785
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630765
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634374

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine (CID 106876742) is 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)Cc2ccoc2)c1Br.
What is the InChIKey of 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is KNBBOWHYFQIMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-9-3-5-14-12(11(9)13)15(2)7-10-4-6-16-8-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine?
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 281.15 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 106876742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).