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

C17H21BrN2 — CID 115606122

IUPACN-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-4-9-19-17(16-8-7-15(18)11-20-16)14-6-5-12(2)13(3)10-14/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyANCJQWCTPFRKNL-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.55
Rot. Bonds5

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

N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine (PubChem CID 115606122) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
PubChem CID115606122
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-4-9-19-17(16-8-7-15(18)11-20-16)14-6-5-12(2)13(3)10-14/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyANCJQWCTPFRKNL-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140288
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881960
N-[(5-bromo-2-pyridinyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 113393885
(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
CID 113230461
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(4-bromo-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854745
N-[(3,4-dimethylphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43493978
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine (CID 115606122) is N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(C)c1)c1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is ANCJQWCTPFRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-9-19-17(16-8-7-15(18)11-20-16)14-6-5-12(2)13(3)10-14/h5-8,10-11,17,19H,4,9H2,1-3H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 333.27 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115606122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).