1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

C16H18BrClN2O — CID 115844012

IUPAC1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)c2ccc(Br)c(Cl)c2)c1C
InChIInChI=1S/C16H18BrClN2O/c1-9-8-20-15(10(2)16(9)21-3)7-14(19)11-4-5-12(17)13(18)6-11/h4-6,8,14H,7,19H2,1-3H3
InChIKeyKOLXDEKPBHQJIP-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.37
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 115844012) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID115844012
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)c2ccc(Br)c(Cl)c2)c1C
InChIInChI=1S/C16H18BrClN2O/c1-9-8-20-15(10(2)16(9)21-3)7-14(19)11-4-5-12(17)13(18)6-11/h4-6,8,14H,7,19H2,1-3H3
InChIKeyKOLXDEKPBHQJIP-UHFFFAOYSA-N
XLogP4.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 106691804
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
1-(5-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115843956
1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 114894511
1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 64713618
2-[2-(4-bromophenyl)-3-chloropropyl]-4-methoxy-3,5-dimethylpyridine
CID 79433899
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 62603573
1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 115788146
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 62607399

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (CID 115844012) is 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is COc1c(C)cnc(CC(N)c2ccc(Br)c(Cl)c2)c1C.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is KOLXDEKPBHQJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-9-8-20-15(10(2)16(9)21-3)7-14(19)11-4-5-12(17)13(18)6-11/h4-6,8,14H,7,19H2,1-3H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 369.69 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 115844012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).