N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

C15H18ClNO2 — CID 106684341

IUPACN-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)c1cc(C)ccc1OC
InChIInChI=1S/C15H18ClNO2/c1-4-17-15(13-7-8-14(16)19-13)11-9-10(2)5-6-12(11)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeyFIZZDJLWTZFVED-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.95
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (PubChem CID 106684341) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
PubChem CID106684341
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)c1cc(C)ccc1OC
InChIInChI=1S/C15H18ClNO2/c1-4-17-15(13-7-8-14(16)19-13)11-9-10(2)5-6-12(11)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeyFIZZDJLWTZFVED-UHFFFAOYSA-N
XLogP3.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43626292
[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 106694377
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
CID 106684349
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81157380

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (CID 106684341) is N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)o1)c1cc(C)ccc1OC.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The InChIKey is FIZZDJLWTZFVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-17-15(13-7-8-14(16)19-13)11-9-10(2)5-6-12(11)18-3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.95, 5 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-methoxy-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106684341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).