N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine

C17H20BrClN2 — CID 107989126

IUPACN-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H20BrClN2/c1-3-8-20-17(10-14-6-4-12(2)11-21-14)13-5-7-16(19)15(18)9-13/h4-7,9,11,17,20H,3,8,10H2,1-2H3
InChIKeyNBUOGIOGCLDAFI-UHFFFAOYSA-N
MW367.72 g/mol
LogP5.09
Rot. Bonds6

About N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine

N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 107989126) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID107989126
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC NameN-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H20BrClN2/c1-3-8-20-17(10-14-6-4-12(2)11-21-14)13-5-7-16(19)15(18)9-13/h4-7,9,11,17,20H,3,8,10H2,1-2H3
InChIKeyNBUOGIOGCLDAFI-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.72
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81459587
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522
2-[2-bromo-2-(3-bromo-4-chlorophenyl)ethyl]-5-methylpyridine
CID 107995683
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[1-(3-bromo-4-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115567852

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 107989126) is N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cn1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is NBUOGIOGCLDAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-3-8-20-17(10-14-6-4-12(2)11-21-14)13-5-7-16(19)15(18)9-13/h4-7,9,11,17,20H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 367.72 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 107989126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).