1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine

C16H19BrN2O — CID 104660704

IUPAC1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-3-10-20-15-7-5-4-6-13(15)16(18-2)14-9-8-12(17)11-19-14/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyNFDQJVYXRZNYLP-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.94
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine

1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine (PubChem CID 104660704) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
PubChem CID104660704
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-3-10-20-15-7-5-4-6-13(15)16(18-2)14-9-8-12(17)11-19-14/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyNFDQJVYXRZNYLP-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 103374186
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105144951
1-(2-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 55120655
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 115606086
1-(2-ethoxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 63987696
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine (CID 104660704) is 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(NC)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The InChIKey is NFDQJVYXRZNYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-10-20-15-7-5-4-6-13(15)16(18-2)14-9-8-12(17)11-19-14/h4-9,11,16,18H,3,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine has a molecular weight of 335.25 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 104660704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).