(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine

C17H21BrN2O — CID 114330234

IUPAC(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(N)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H21BrN2O/c1-4-5-21-15-8-14(9-20-10-15)17(19)13-6-11(2)16(18)12(3)7-13/h6-10,17H,4-5,19H2,1-3H3
InChIKeyBKUFQBHOTCJCGV-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.30
Rot. Bonds5

About (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine

(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 114330234) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
PubChem CID114330234
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(N)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H21BrN2O/c1-4-5-21-15-8-14(9-20-10-15)17(19)13-6-11(2)16(18)12(3)7-13/h6-10,17H,4-5,19H2,1-3H3
InChIKeyBKUFQBHOTCJCGV-UHFFFAOYSA-N
XLogP4.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine
CID 105026739
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026983
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
CID 115804729
2-ethoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116720905
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
[(4,5-dimethylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330062

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine (CID 114330234) is (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(N)c2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is BKUFQBHOTCJCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-5-21-15-8-14(9-20-10-15)17(19)13-6-11(2)16(18)12(3)7-13/h6-10,17H,4-5,19H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 349.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 114330234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).