N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

C16H21NO2 — CID 103777751

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1cccc(CCNC(C)c2ccc(C)o2)c1
InChIInChI=1S/C16H21NO2/c1-12-7-8-16(19-12)13(2)17-10-9-14-5-4-6-15(11-14)18-3/h4-8,11,13,17H,9-10H2,1-3H3
InChIKeyMRRUCMWZXJZONN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 103777751) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID103777751
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1cccc(CCNC(C)c2ccc(C)o2)c1
InChIInChI=1S/C16H21NO2/c1-12-7-8-16(19-12)13(2)17-10-9-14-5-4-6-15(11-14)18-3/h4-8,11,13,17H,9-10H2,1-3H3
InChIKeyMRRUCMWZXJZONN-UHFFFAOYSA-N
XLogP3.49
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222058
N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 61065038
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 62314441
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (CID 103777751) is N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is COc1cccc(CCNC(C)c2ccc(C)o2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is MRRUCMWZXJZONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-7-8-16(19-12)13(2)17-10-9-14-5-4-6-15(11-14)18-3/h4-8,11,13,17H,9-10H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 103777751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).