N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine

C16H20BrN3 — CID 106876283

IUPACN-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
SMILESCCCN(Cc1ccccc1N)c1nccc(C)c1Br
InChIInChI=1S/C16H20BrN3/c1-3-10-20(11-13-6-4-5-7-14(13)18)16-15(17)12(2)8-9-19-16/h4-9H,3,10-11,18H2,1-2H3
InChIKeyCYCJJNHTFYMILZ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.15
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine

N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine (PubChem CID 106876283) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
PubChem CID106876283
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
SMILESCCCN(Cc1ccccc1N)c1nccc(C)c1Br
InChIInChI=1S/C16H20BrN3/c1-3-10-20(11-13-6-4-5-7-14(13)18)16-15(17)12(2)8-9-19-16/h4-9H,3,10-11,18H2,1-2H3
InChIKeyCYCJJNHTFYMILZ-UHFFFAOYSA-N
XLogP4.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
CID 83062625
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106875251
4-[(2-aminophenyl)methyl-propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979290
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
CID 106879048
N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65208881
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine (CID 106876283) is N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine is CCCN(Cc1ccccc1N)c1nccc(C)c1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine?
The InChIKey is CYCJJNHTFYMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-3-10-20(11-13-6-4-5-7-14(13)18)16-15(17)12(2)8-9-19-16/h4-9H,3,10-11,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine?
N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 106876283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).