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

C16H17Br2ClN2 — CID 105036522

IUPACN-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17Br2ClN2/c1-2-7-20-16(9-13-5-4-12(17)10-21-13)11-3-6-14(18)15(19)8-11/h3-6,8,10,16,20H,2,7,9H2,1H3
InChIKeyFMKSSDDDPMFDQN-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.54
Rot. Bonds6

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

N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 105036522) has the molecular formula C16H17Br2ClN2 and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
PubChem CID105036522
Molecular FormulaC16H17Br2ClN2
Molecular Weight432.59 g/mol
Exact Mass429.94
IUPAC NameN-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17Br2ClN2/c1-2-7-20-16(9-13-5-4-12(17)10-21-13)11-3-6-14(18)15(19)8-11/h3-6,8,10,16,20H,2,7,9H2,1H3
InChIKeyFMKSSDDDPMFDQN-UHFFFAOYSA-N
XLogP5.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014457
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822956
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81459587
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine (CID 105036522) is N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cn1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is FMKSSDDDPMFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2ClN2/c1-2-7-20-16(9-13-5-4-12(17)10-21-13)11-3-6-14(18)15(19)8-11/h3-6,8,10,16,20H,2,7,9H2,1H3.
What are the key properties of N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 432.59 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105036522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).