1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine

C14H17ClN2O2 — CID 106692898

IUPAC1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCNC(c1cncc(OC(C)C)c1)c1ccoc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9(2)19-11-6-10(7-17-8-11)13(16-3)12-4-5-18-14(12)15/h4-9,13,16H,1-3H3
InChIKeyJCERSTOKXFLBRY-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.42
Rot. Bonds5

About 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine

1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 106692898) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID106692898
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCNC(c1cncc(OC(C)C)c1)c1ccoc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9(2)19-11-6-10(7-17-8-11)13(16-3)12-4-5-18-14(12)15/h4-9,13,16H,1-3H3
InChIKeyJCERSTOKXFLBRY-UHFFFAOYSA-N
XLogP3.42
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 106692900
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027406
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027547
N-[(2-chlorofuran-3-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 106692879
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176122
N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692753
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176174
1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561912
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 106691466

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 106692898) is 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine is CNC(c1cncc(OC(C)C)c1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is JCERSTOKXFLBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(2)19-11-6-10(7-17-8-11)13(16-3)12-4-5-18-14(12)15/h4-9,13,16H,1-3H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine?
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 280.76 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 106692898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).