N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

C16H21NO3 — CID 43222058

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1cc(CNC(C)c2ccc(C)o2)cc(OC)c1
InChIInChI=1S/C16H21NO3/c1-11-5-6-16(20-11)12(2)17-10-13-7-14(18-3)9-15(8-13)19-4/h5-9,12,17H,10H2,1-4H3
InChIKeyPRSVPFVHBNMKAG-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.46
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43222058) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43222058
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1cc(CNC(C)c2ccc(C)o2)cc(OC)c1
InChIInChI=1S/C16H21NO3/c1-11-5-6-16(20-11)12(2)17-10-13-7-14(18-3)9-15(8-13)19-4/h5-9,12,17H,10H2,1-4H3
InChIKeyPRSVPFVHBNMKAG-UHFFFAOYSA-N
XLogP3.46
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
CID 47008363
N-[(6-methoxy-3-pyridinyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43206302
1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008361
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
CID 43222033
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623582
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
2-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenyl]acetic acid
CID 103242341
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222055

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 43222058) is N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is COc1cc(CNC(C)c2ccc(C)o2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is PRSVPFVHBNMKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-5-6-16(20-11)12(2)17-10-13-7-14(18-3)9-15(8-13)19-4/h5-9,12,17H,10H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43222058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).