N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

C16H20ClNO2 — CID 106692741

IUPACN-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)c1ccccc1OC(C)C
InChIInChI=1S/C16H20ClNO2/c1-4-18-16(14-9-10-15(17)20-14)12-7-5-6-8-13(12)19-11(2)3/h5-11,16,18H,4H2,1-3H3
InChIKeySCAQHSRTHVFUHR-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.42
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 106692741) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID106692741
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)c1ccccc1OC(C)C
InChIInChI=1S/C16H20ClNO2/c1-4-18-16(14-9-10-15(17)20-14)12-7-5-6-8-13(12)19-11(2)3/h5-11,16,18H,4H2,1-3H3
InChIKeySCAQHSRTHVFUHR-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

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Related Compounds

N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314
[(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 106694388
N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 114878306
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018408
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
CID 106684349
N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105170940
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937
N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
CID 106684213
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 106692741) is N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)o1)c1ccccc1OC(C)C.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is SCAQHSRTHVFUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-4-18-16(14-9-10-15(17)20-14)12-7-5-6-8-13(12)19-11(2)3/h5-11,16,18H,4H2,1-3H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(2-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-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 106692741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).