5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine

C13H19BrN2O — CID 112699079

IUPAC5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)CCOCC1CC1
InChIInChI=1S/C13H19BrN2O/c1-10-7-12(14)8-15-13(10)16(2)5-6-17-9-11-3-4-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyZBMDGEFPGZBHBD-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.02
Rot. Bonds6

About 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine (PubChem CID 112699079) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine
PubChem CID112699079
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)CCOCC1CC1
InChIInChI=1S/C13H19BrN2O/c1-10-7-12(14)8-15-13(10)16(2)5-6-17-9-11-3-4-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyZBMDGEFPGZBHBD-UHFFFAOYSA-N
XLogP3.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80637834
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80852163
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
CID 115148671
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-nitropyridine-3-carboxylic acid
CID 81448116
5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine
CID 104535382
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine
CID 103518332
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,3-dimethylpyridin-2-amine
CID 81057209
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine (CID 112699079) is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine is Cc1cc(Br)cnc1N(C)CCOCC1CC1.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is ZBMDGEFPGZBHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-7-12(14)8-15-13(10)16(2)5-6-17-9-11-3-4-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine?
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 112699079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).