N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine

C16H21ClN2O2 — CID 106692900

IUPACN-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)c1ccoc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-4-6-19-15(14-5-7-20-16(14)17)12-8-13(10-18-9-12)21-11(2)3/h5,7-11,15,19H,4,6H2,1-3H3
InChIKeyWSXABTQYOJGVQA-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.20
Rot. Bonds7

About N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine

N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 106692900) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID106692900
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)c1ccoc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-4-6-19-15(14-5-7-20-16(14)17)12-8-13(10-18-9-12)21-11(2)3/h5,7-11,15,19H,4,6H2,1-3H3
InChIKeyWSXABTQYOJGVQA-UHFFFAOYSA-N
XLogP4.20
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorofuran-3-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 106692879
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 106692898
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692753
N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105176097
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 106692244
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
CID 104790228
N-[(3-chloro-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025776

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (CID 106692900) is N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(OC(C)C)c1)c1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is WSXABTQYOJGVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-6-19-15(14-5-7-20-16(14)17)12-8-13(10-18-9-12)21-11(2)3/h5,7-11,15,19H,4,6H2,1-3H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 308.81 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106692900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).