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

C18H23BrN2 — CID 105036368

IUPACN-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23BrN2/c1-4-9-20-18(11-17-8-7-16(19)12-21-17)15-6-5-13(2)14(3)10-15/h5-8,10,12,18,20H,4,9,11H2,1-3H3
InChIKeyAMVKPZPBKVJHCY-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.74
Rot. Bonds6

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

N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 105036368) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID105036368
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23BrN2/c1-4-9-20-18(11-17-8-7-16(19)12-21-17)15-6-5-13(2)14(3)10-15/h5-8,10,12,18,20H,4,9,11H2,1-3H3
InChIKeyAMVKPZPBKVJHCY-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

N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81459587
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803663
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115606122
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104804098
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine (CID 105036368) is N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cn1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is AMVKPZPBKVJHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-9-20-18(11-17-8-7-16(19)12-21-17)15-6-5-13(2)14(3)10-15/h5-8,10,12,18,20H,4,9,11H2,1-3H3.
What are the key properties of N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)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-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105036368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).