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

C14H14BrClN2 — CID 81295637

IUPAC1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCC(c1ccccn1)C(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2/c1-9(13-4-2-3-7-18-13)14(17)10-5-6-11(15)12(16)8-10/h2-9,14H,17H2,1H3
InChIKeySGWWOJXJPYAFLG-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.30
Rot. Bonds3

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

1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine (PubChem CID 81295637) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine
PubChem CID81295637
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCC(c1ccccn1)C(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2/c1-9(13-4-2-3-7-18-13)14(17)10-5-6-11(15)12(16)8-10/h2-9,14H,17H2,1H3
InChIKeySGWWOJXJPYAFLG-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 81295824
1-(4-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446811
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
1-(2-iodophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66448363
1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995601
1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995597
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105196010

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine (CID 81295637) is 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine is CC(c1ccccn1)C(N)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine?
The InChIKey is SGWWOJXJPYAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-9(13-4-2-3-7-18-13)14(17)10-5-6-11(15)12(16)8-10/h2-9,14H,17H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine?
1-(4-bromo-3-chlorophenyl)-2-pyridin-2-ylpropan-1-amine has a molecular weight of 325.64 g/mol, XLogP of 4.30, 3 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)-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 81295637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).