1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine

C16H19ClN2O — CID 79795411

IUPAC1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H19ClN2O/c1-2-14(18)9-15-6-7-16(10-19-15)20-11-12-4-3-5-13(17)8-12/h3-8,10,14H,2,9,11,18H2,1H3
InChIKeyOPYDOOLVPMKYNG-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.59
Rot. Bonds6

About 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine

1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine (PubChem CID 79795411) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine
PubChem CID79795411
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H19ClN2O/c1-2-14(18)9-15-6-7-16(10-19-15)20-11-12-4-3-5-13(17)8-12/h3-8,10,14H,2,9,11,18H2,1H3
InChIKeyOPYDOOLVPMKYNG-UHFFFAOYSA-N
XLogP3.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79790836
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998
1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
CID 103599968
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 103049291
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
CID 79795250

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine (CID 79795411) is 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(OCc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
The InChIKey is OPYDOOLVPMKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-14(18)9-15-6-7-16(10-19-15)20-11-12-4-3-5-13(17)8-12/h3-8,10,14H,2,9,11,18H2,1H3.
What are the key properties of 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).