3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine

C15H16Cl2N2O — CID 63486701

IUPAC3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-18-15-11(4-3-8-19-15)10-20-14-9-12(16)5-6-13(14)17/h3-6,8-9H,2,7,10H2,1H3,(H,18,19)
InChIKeyDFHSNDCTGIFFPN-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.79
Rot. Bonds6

About 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine

3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 63486701) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID63486701
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-18-15-11(4-3-8-19-15)10-20-14-9-12(16)5-6-13(14)17/h3-6,8-9H,2,7,10H2,1H3,(H,18,19)
InChIKeyDFHSNDCTGIFFPN-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 65125822
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 107660665
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
CID 55075630
3-[(3-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62465500
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 62467832
N-ethyl-3-[(2-propoxyphenoxy)methyl]pyridin-2-amine
CID 62465153
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-N-methylpyridin-2-amine
CID 107660638
3-[3-(2-methoxyethoxy)propoxymethyl]-N-propylpyridin-2-amine
CID 103405422
1,4-dichloro-2-[(2,3-difluorophenyl)methoxy]benzene
CID 78915283
3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468384

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine (CID 63486701) is 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1COc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is DFHSNDCTGIFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-7-18-15-11(4-3-8-19-15)10-20-14-9-12(16)5-6-13(14)17/h3-6,8-9H,2,7,10H2,1H3,(H,18,19).
What are the key properties of 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine?
3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine has a molecular weight of 311.21 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63486701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).