N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine

C15H17BrN2O — CID 106660403

IUPACN-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine
SMILESCOc1cnc(C)cc1NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-10-8-14(15(19-3)9-17-10)18-11(2)12-4-6-13(16)7-5-12/h4-9,11H,1-3H3,(H,17,18)
InChIKeyFDFVYZREHAMDOA-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.33
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine

N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine (PubChem CID 106660403) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine
PubChem CID106660403
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine
SMILESCOc1cnc(C)cc1NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-10-8-14(15(19-3)9-17-10)18-11(2)12-4-6-13(16)7-5-12/h4-9,11H,1-3H3,(H,17,18)
InChIKeyFDFVYZREHAMDOA-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-methyl-N-(1-thiophen-3-ylethyl)pyridin-4-amine
CID 106660484
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine
CID 106660284
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine (CID 106660403) is N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine is COc1cnc(C)cc1NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine?
The InChIKey is FDFVYZREHAMDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-8-14(15(19-3)9-17-10)18-11(2)12-4-6-13(16)7-5-12/h4-9,11H,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine?
N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-5-methoxy-2-methylpyridin-4-amine is sourced from PubChem (CID 106660403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).