3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine

C10H14BrClN2O — CID 63390234

IUPAC3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCC(Cl)CN(C)c1ncccc1Br
InChIInChI=1S/C10H14BrClN2O/c1-14(6-8(12)7-15-2)10-9(11)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyZHVMHNUVUVJGSG-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.53
Rot. Bonds5

About 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine

3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 63390234) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID63390234
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCC(Cl)CN(C)c1ncccc1Br
InChIInChI=1S/C10H14BrClN2O/c1-14(6-8(12)7-15-2)10-9(11)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyZHVMHNUVUVJGSG-UHFFFAOYSA-N
XLogP2.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.53
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

3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 61428057
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 103584084
N-(2-bromo-3-methoxypropyl)-3-fluoro-N-methylpyridin-2-amine
CID 80674688
3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
CID 106242892
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
4-N-(2-chloro-3-methoxypropyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64828548
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
3-bromo-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447485
2-tert-butyl-N-(2-chloro-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733885
2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 55184038
N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55184952

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine (CID 63390234) is 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine is COCC(Cl)CN(C)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is ZHVMHNUVUVJGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O/c1-14(6-8(12)7-15-2)10-9(11)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine?
3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 293.59 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63390234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).