N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine

C16H20ClNO2 — CID 106692753

IUPACN-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)c1ccoc1Cl
InChIInChI=1S/C16H20ClNO2/c1-4-18-15(14-8-9-19-16(14)17)12-6-5-7-13(10-12)20-11(2)3/h5-11,15,18H,4H2,1-3H3
InChIKeyKUENBFRYJSUWCQ-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.42
Rot. Bonds6

About N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine

N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 106692753) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID106692753
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)c1ccoc1Cl
InChIInChI=1S/C16H20ClNO2/c1-4-18-15(14-8-9-19-16(14)17)12-6-5-7-13(10-12)20-11(2)3/h5-11,15,18H,4H2,1-3H3
InChIKeyKUENBFRYJSUWCQ-UHFFFAOYSA-N
XLogP4.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine 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-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 104790245
N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 106692900
N-[(3-chloro-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103406913
N-[(4-bromothiophen-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105010681
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 106692898
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine
CID 106692808
N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 106691892
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 106692753) is N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC(C)C)c1)c1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is KUENBFRYJSUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-4-18-15(14-8-9-19-16(14)17)12-6-5-7-13(10-12)20-11(2)3/h5-11,15,18H,4H2,1-3H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 293.79 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 106692753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).