6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine

C14H15BrN2O — CID 114051592

IUPAC6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine
SMILESCOc1ccc(C(C)Nc2ccc(Br)nc2)cc1
InChIInChI=1S/C14H15BrN2O/c1-10(11-3-6-13(18-2)7-4-11)17-12-5-8-14(15)16-9-12/h3-10,17H,1-2H3
InChIKeyIRNBNMSEDAFTGA-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.03
Rot. Bonds4

About 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine

6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine (PubChem CID 114051592) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine
PubChem CID114051592
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine
SMILESCOc1ccc(C(C)Nc2ccc(Br)nc2)cc1
InChIInChI=1S/C14H15BrN2O/c1-10(11-3-6-13(18-2)7-4-11)17-12-5-8-14(15)16-9-12/h3-10,17H,1-2H3
InChIKeyIRNBNMSEDAFTGA-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
2-bromo-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 107282164
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
2-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyridin-4-amine
CID 113368267
4-(difluoromethylsulfanyl)-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43673145
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine (CID 114051592) is 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine is COc1ccc(C(C)Nc2ccc(Br)nc2)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine?
The InChIKey is IRNBNMSEDAFTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(11-3-6-13(18-2)7-4-11)17-12-5-8-14(15)16-9-12/h3-10,17H,1-2H3.
What are the key properties of 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine?
6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine has a molecular weight of 307.19 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-methoxyphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 114051592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).