N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

C17H23NO3 — CID 105030066

IUPACN-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H23NO3/c1-4-8-18-16(10-13-7-9-21-12-13)15-11-14(19-2)5-6-17(15)20-3/h5-7,9,11-12,16,18H,4,8,10H2,1-3H3
InChIKeyNHPXCRKQTLQGNF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.58
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 105030066) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID105030066
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H23NO3/c1-4-8-18-16(10-13-7-9-21-12-13)15-11-14(19-2)5-6-17(15)20-3/h5-7,9,11-12,16,18H,4,8,10H2,1-3H3
InChIKeyNHPXCRKQTLQGNF-UHFFFAOYSA-N
XLogP3.58
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331682
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029989
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182367
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029882
1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
CID 104987020
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 105030066) is N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cc(OC)ccc1OC.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is NHPXCRKQTLQGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-8-18-16(10-13-7-9-21-12-13)15-11-14(19-2)5-6-17(15)20-3/h5-7,9,11-12,16,18H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105030066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).