5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine

C13H21BrN2O — CID 107084894

IUPAC5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(CBr)cc1C)C(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(2)16(5-6-17-4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3
InChIKeyBRUFWKXAOAOYPS-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.15
Rot. Bonds6

About 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine

5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 107084894) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID107084894
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(CBr)cc1C)C(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(2)16(5-6-17-4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3
InChIKeyBRUFWKXAOAOYPS-UHFFFAOYSA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107081997
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
5-(aminomethyl)-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyridin-2-amine
CID 80630796
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80629569
5-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 82949133
5-(bromomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 107081935
5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
CID 107081147
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433
3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82953039
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630602
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine (CID 107084894) is 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine is COCCN(c1ncc(CBr)cc1C)C(C)C.
What is the InChIKey of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is BRUFWKXAOAOYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(2)16(5-6-17-4)13-11(3)7-12(8-14)9-15-13/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 301.23 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 107084894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).