1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine

C16H18BrClN2 — CID 81295824

IUPAC1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1ccc(Br)c(Cl)c1)C(C)c1ccccn1
InChIInChI=1S/C16H18BrClN2/c1-3-19-16(11(2)15-6-4-5-9-20-15)12-7-8-13(17)14(18)10-12/h4-11,16,19H,3H2,1-2H3
InChIKeyRRDHVXBNDUBFIU-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.95
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine

1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 81295824) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
PubChem CID81295824
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1ccc(Br)c(Cl)c1)C(C)c1ccccn1
InChIInChI=1S/C16H18BrClN2/c1-3-19-16(11(2)15-6-4-5-9-20-15)12-7-8-13(17)14(18)10-12/h4-11,16,19H,3H2,1-2H3
InChIKeyRRDHVXBNDUBFIU-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 81295637
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446048
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446447
1-(2,5-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446052
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 106854819
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426
N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 79217320
1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 81112033
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (CID 81295824) is 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is CCNC(c1ccc(Br)c(Cl)c1)C(C)c1ccccn1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is RRDHVXBNDUBFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-3-19-16(11(2)15-6-4-5-9-20-15)12-7-8-13(17)14(18)10-12/h4-11,16,19H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 353.69 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 81295824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).