4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine

C15H17ClN2O — CID 62465810

IUPAC4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(COc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H17ClN2O/c1-2-8-17-15-10-12(7-9-18-15)11-19-14-5-3-13(16)4-6-14/h3-7,9-10H,2,8,11H2,1H3,(H,17,18)
InChIKeyBHBYAOSVNUDOKO-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.14
Rot. Bonds6

About 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine

4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 62465810) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID62465810
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(COc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H17ClN2O/c1-2-8-17-15-10-12(7-9-18-15)11-19-14-5-3-13(16)4-6-14/h3-7,9-10H,2,8,11H2,1H3,(H,17,18)
InChIKeyBHBYAOSVNUDOKO-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 83140667
4-(2-methoxyethoxymethyl)-N-propylpyridin-2-amine
CID 62466363
N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
CID 62463881
4-(pentan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 102985121
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
4-[(4-ethoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464065
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-N-propylpyridin-2-amine
CID 112589451
4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
4-(furan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62464220
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
2-[[2-(propylamino)-4-pyridinyl]methoxy]benzamide
CID 62463913

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine (CID 62465810) is 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1cc(COc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is BHBYAOSVNUDOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-8-17-15-10-12(7-9-18-15)11-19-14-5-3-13(16)4-6-14/h3-7,9-10H,2,8,11H2,1H3,(H,17,18).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine?
4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62465810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).