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

C18H23BrN2 — CID 81459587

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

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

N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 81459587) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID81459587
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H23BrN2/c1-4-9-20-18(11-16-8-5-13(2)12-21-16)15-7-6-14(3)17(19)10-15/h5-8,10,12,18,20H,4,9,11H2,1-3H3
InChIKeyXICMMEVDRLELPQ-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-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447120
N-[1-(3-bromo-4-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81471845
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459041
N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 66459653
N-[1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459042
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 81459587) is N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cn1)c1ccc(C)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is XICMMEVDRLELPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-9-20-18(11-16-8-5-13(2)12-21-16)15-7-6-14(3)17(19)10-15/h5-8,10,12,18,20H,4,9,11H2,1-3H3.
What are the key properties of N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-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-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 81459587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).