N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine

C18H23BrN2 — CID 107504146

IUPACN-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1cc(C)nc(C)c1
InChIInChI=1S/C18H23BrN2/c1-4-9-20-18(12-15-7-5-6-8-17(15)19)16-10-13(2)21-14(3)11-16/h5-8,10-11,18,20H,4,9,12H2,1-3H3
InChIKeyZPUPKQDOZDQHEH-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.74
Rot. Bonds6

About N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 107504146) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
PubChem CID107504146
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1cc(C)nc(C)c1
InChIInChI=1S/C18H23BrN2/c1-4-9-20-18(12-15-7-5-6-8-17(15)19)16-10-13(2)21-14(3)11-16/h5-8,10-11,18,20H,4,9,12H2,1-3H3
InChIKeyZPUPKQDOZDQHEH-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504978
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 60819665
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[2-(2-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105087377
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
N-[2-(2-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105087534
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine (CID 107504146) is N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)c1cc(C)nc(C)c1.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is ZPUPKQDOZDQHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-9-20-18(12-15-7-5-6-8-17(15)19)16-10-13(2)21-14(3)11-16/h5-8,10-11,18,20H,4,9,12H2,1-3H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 347.30 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 107504146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).