5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine

C21H21BrN2O2 — CID 13008984

IUPAC5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C21H21BrN2O2/c1-25-19-8-3-16(4-9-19)14-24(21-12-7-18(22)13-23-21)15-17-5-10-20(26-2)11-6-17/h3-13H,14-15H2,1-2H3
InChIKeyJRACKEAVCYYILE-UHFFFAOYSA-N
MW413.32 g/mol
LogP5.07
Rot. Bonds7

About 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine

5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 13008984) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID13008984
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C21H21BrN2O2/c1-25-19-8-3-16(4-9-19)14-24(21-12-7-18(22)13-23-21)15-17-5-10-20(26-2)11-6-17/h3-13H,14-15H2,1-2H3
InChIKeyJRACKEAVCYYILE-UHFFFAOYSA-N
XLogP5.07
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine Maleate
CID 5284451
Thonzylamine
CID 5457
Pyrilamine hydrochloride
CID 80139
HI-236
CID 3000498
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
Ngd-4715
CID 9866893
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452
[3H]pyrilamine
CID 656400
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 13008984) is 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is JRACKEAVCYYILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c1-25-19-8-3-16(4-9-19)14-24(21-12-7-18(22)13-23-21)15-17-5-10-20(26-2)11-6-17/h3-13H,14-15H2,1-2H3.
What are the key properties of 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 413.32 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 13008984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).