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

C17H20BrClN2 — CID 105181736

IUPACN-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)c1cccnc1C
InChIInChI=1S/C17H20BrClN2/c1-3-8-21-17(15-5-4-9-20-12(15)2)10-13-6-7-14(18)11-16(13)19/h4-7,9,11,17,21H,3,8,10H2,1-2H3
InChIKeyPXYDSZPHTGVTEZ-UHFFFAOYSA-N
MW367.72 g/mol
LogP5.09
Rot. Bonds6

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

N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105181736) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105181736
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC NameN-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1Cl)c1cccnc1C
InChIInChI=1S/C17H20BrClN2/c1-3-8-21-17(15-5-4-9-20-12(15)2)10-13-6-7-14(18)11-16(13)19/h4-7,9,11,17,21H,3,8,10H2,1-2H3
InChIKeyPXYDSZPHTGVTEZ-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-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
N-[2-(4-bromo-2-chlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105181752
N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214
N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 106866272
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105132112
N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448648
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954
[2-(4-bromo-2-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209275
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 105181736) is N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1Cl)c1cccnc1C.
What is the InChIKey of N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is PXYDSZPHTGVTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-3-8-21-17(15-5-4-9-20-12(15)2)10-13-6-7-14(18)11-16(13)19/h4-7,9,11,17,21H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-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-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105181736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).