1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine

C18H23BrN2 — CID 105036122

IUPAC1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)Cc1cc(C)ccc1C
InChIInChI=1S/C18H23BrN2/c1-4-20-18(11-17-8-7-16(19)12-21-17)10-15-9-13(2)5-6-14(15)3/h5-9,12,18,20H,4,10-11H2,1-3H3
InChIKeySMUXSNHZVUHXGH-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.22
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine

1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine (PubChem CID 105036122) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
PubChem CID105036122
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)Cc1cc(C)ccc1C
InChIInChI=1S/C18H23BrN2/c1-4-20-18(11-17-8-7-16(19)12-21-17)10-15-9-13(2)5-6-14(15)3/h5-9,12,18,20H,4,10-11H2,1-3H3
InChIKeySMUXSNHZVUHXGH-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 104801872
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105180924
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine (CID 105036122) is 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine is CCNC(Cc1ccc(Br)cn1)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine?
The InChIKey is SMUXSNHZVUHXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-20-18(11-17-8-7-16(19)12-21-17)10-15-9-13(2)5-6-14(15)3/h5-9,12,18,20H,4,10-11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine has a molecular weight of 347.30 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 105036122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).