5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

C15H24BrN3O — CID 82952955

IUPAC5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(Br)cc1CNC1CC1)C(C)C
InChIInChI=1S/C15H24BrN3O/c1-11(2)19(6-7-20-3)15-12(8-13(16)10-18-15)9-17-14-4-5-14/h8,10-11,14,17H,4-7,9H2,1-3H3
InChIKeyTXMUKYCLOBGZKU-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.96
Rot. Bonds8

About 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 82952955) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID82952955
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncc(Br)cc1CNC1CC1)C(C)C
InChIInChI=1S/C15H24BrN3O/c1-11(2)19(6-7-20-3)15-12(8-13(16)10-18-15)9-17-14-4-5-14/h8,10-11,14,17H,4-7,9H2,1-3H3
InChIKeyTXMUKYCLOBGZKU-UHFFFAOYSA-N
XLogP2.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82953039
5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine
CID 62293675
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191503
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
CID 82953034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (CID 82952955) is 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is COCCN(c1ncc(Br)cc1CNC1CC1)C(C)C.
What is the InChIKey of 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is TXMUKYCLOBGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-11(2)19(6-7-20-3)15-12(8-13(16)10-18-15)9-17-14-4-5-14/h8,10-11,14,17H,4-7,9H2,1-3H3.
What are the key properties of 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 82952955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).