N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H19BrN2O — CID 105075392

IUPACN-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1Oc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-12(2)9-19-10-13-6-7-18-11-16(13)20-15-5-3-4-14(17)8-15/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyZCSUZUWEIWLRJR-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.38
Rot. Bonds6

About N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105075392) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105075392
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1Oc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-12(2)9-19-10-13-6-7-18-11-16(13)20-15-5-3-4-14(17)8-15/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyZCSUZUWEIWLRJR-UHFFFAOYSA-N
XLogP4.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-[[3-(5-bromo-2-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107285678
N-[[3-(4-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075484
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107170646
N-[[4-[(5-bromo-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81250685
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
N-[[4-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83138141
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
N-[[2-[(3-bromophenoxy)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63498759
N-[[4-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254245
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105075392) is N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccncc1Oc1cccc(Br)c1.
What is the InChIKey of N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZCSUZUWEIWLRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12(2)9-19-10-13-6-7-18-11-16(13)20-15-5-3-4-14(17)8-15/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105075392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).