N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine

C15H17BrN2O — CID 63454228

IUPACN-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11(2)19-15-14(7-4-8-17-15)18-10-12-5-3-6-13(16)9-12/h3-9,11,18H,10H2,1-2H3
InChIKeyXQDZEGDESJZVBI-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.24
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine

N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 63454228) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID63454228
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11(2)19-15-14(7-4-8-17-15)18-10-12-5-3-6-13(16)9-12/h3-9,11,18H,10H2,1-2H3
InChIKeyXQDZEGDESJZVBI-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 63047282
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 63454228) is N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is XQDZEGDESJZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(2)19-15-14(7-4-8-17-15)18-10-12-5-3-6-13(16)9-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 321.22 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 63454228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).