N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C16H19BrN2O — CID 62295659

IUPACN-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(Br)cc2CNC(C)C)cc1
InChIInChI=1S/C16H19BrN2O/c1-11(2)18-9-13-8-14(17)10-19-16(13)20-15-6-4-12(3)5-7-15/h4-8,10-11,18H,9H2,1-3H3
InChIKeyYOIVUXDDDCFACV-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.44
Rot. Bonds5

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

N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62295659) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62295659
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(Br)cc2CNC(C)C)cc1
InChIInChI=1S/C16H19BrN2O/c1-11(2)18-9-13-8-14(17)10-19-16(13)20-15-6-4-12(3)5-7-15/h4-8,10-11,18H,9H2,1-3H3
InChIKeyYOIVUXDDDCFACV-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176
N-[[5-bromo-2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 107170579
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824
N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290354
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 104566317
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62295659) is N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine is Cc1ccc(Oc2ncc(Br)cc2CNC(C)C)cc1.
What is the InChIKey of N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is YOIVUXDDDCFACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11(2)18-9-13-8-14(17)10-19-16(13)20-15-6-4-12(3)5-7-15/h4-8,10-11,18H,9H2,1-3H3.
What are the key properties of N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62295659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).