N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine

C16H20BrN3 — CID 114869643

IUPACN-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
SMILESCCCN(Cc1cccc(N)c1)c1cc(C)c(Br)cn1
InChIInChI=1S/C16H20BrN3/c1-3-7-20(11-13-5-4-6-14(18)9-13)16-8-12(2)15(17)10-19-16/h4-6,8-10H,3,7,11,18H2,1-2H3
InChIKeyFTLCFGNSXKXECO-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.15
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine

N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine (PubChem CID 114869643) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
PubChem CID114869643
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
SMILESCCCN(Cc1cccc(N)c1)c1cc(C)c(Br)cn1
InChIInChI=1S/C16H20BrN3/c1-3-7-20(11-13-5-4-6-14(18)9-13)16-8-12(2)15(17)10-19-16/h4-6,8-10H,3,7,11,18H2,1-2H3
InChIKeyFTLCFGNSXKXECO-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'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
CID 104777664
2-[(5-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 115774139
N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79718732
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 114870365
N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine
CID 55039868
N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine
CID 65169131
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
4-[(3-aminophenyl)methyl-propylamino]-2-bromobenzonitrile
CID 107281139
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
CID 114868959

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine (CID 114869643) is N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine is CCCN(Cc1cccc(N)c1)c1cc(C)c(Br)cn1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine?
The InChIKey is FTLCFGNSXKXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-3-7-20(11-13-5-4-6-14(18)9-13)16-8-12(2)15(17)10-19-16/h4-6,8-10H,3,7,11,18H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine?
N-[(3-aminophenyl)methyl]-5-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-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 114869643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).