N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine

C15H18BrN3 — CID 105366500

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)Cc2ccc(CN)cc2)c(Br)c1
InChIInChI=1S/C15H18BrN3/c1-11-7-14(16)15(18-9-11)19(2)10-13-5-3-12(8-17)4-6-13/h3-7,9H,8,10,17H2,1-2H3
InChIKeyZAPAMNIRANKVCW-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.25
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine

N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine (PubChem CID 105366500) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
PubChem CID105366500
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)Cc2ccc(CN)cc2)c(Br)c1
InChIInChI=1S/C15H18BrN3/c1-11-7-14(16)15(18-9-11)19(2)10-13-5-3-12(8-17)4-6-13/h3-7,9H,8,10,17H2,1-2H3
InChIKeyZAPAMNIRANKVCW-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
N-[[4-(aminomethyl)phenyl]methyl]-N,3,6-trimethylpyrazin-2-amine
CID 54939164
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 105368853
N-[[4-(aminomethyl)phenyl]methyl]-N,2,4,6-tetramethylaniline
CID 115213175
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84604433
N-[(4-aminophenyl)methyl]-5-bromo-N-methylpyrimidin-4-amine
CID 66319954
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine (CID 105366500) is N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine is Cc1cnc(N(C)Cc2ccc(CN)cc2)c(Br)c1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine?
The InChIKey is ZAPAMNIRANKVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-7-14(16)15(18-9-11)19(2)10-13-5-3-12(8-17)4-6-13/h3-7,9H,8,10,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine?
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 105366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).