N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

C17H21BrN2 — CID 114330731

IUPACN-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)c(C)c1)c1cnccc1C
InChIInChI=1S/C17H21BrN2/c1-5-20-17(15-10-19-7-6-11(15)2)14-8-12(3)16(18)13(4)9-14/h6-10,17,20H,5H2,1-4H3
InChIKeyAMMVWCILTSZTCW-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.47
Rot. Bonds4

About N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 114330731) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID114330731
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)c(C)c1)c1cnccc1C
InChIInChI=1S/C17H21BrN2/c1-5-20-17(15-10-19-7-6-11(15)2)14-8-12(3)16(18)13(4)9-14/h6-10,17,20H,5H2,1-4H3
InChIKeyAMMVWCILTSZTCW-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114330552
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
3-[(4-bromo-3,5-dimethylphenyl)-(ethylamino)methyl]-5-methylpyridin-2-amine
CID 114330580
3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105279471
N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine
CID 105006568
N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006477
N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164352
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 114330651
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (CID 114330731) is N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cc(C)c(Br)c(C)c1)c1cnccc1C.
What is the InChIKey of N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is AMMVWCILTSZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-5-20-17(15-10-19-7-6-11(15)2)14-8-12(3)16(18)13(4)9-14/h6-10,17,20H,5H2,1-4H3.
What are the key properties of N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 333.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114330731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).