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

C13H17NO2 — CID 83175419

IUPACN-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1ccco1
InChIInChI=1S/C13H17NO2/c1-2-6-14-12(13-4-3-7-16-13)9-11-5-8-15-10-11/h3-5,7-8,10,12,14H,2,6,9H2,1H3
InChIKeyROZVKUHTKRBUJB-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.16
Rot. Bonds6

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

N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 83175419) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID83175419
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1ccco1
InChIInChI=1S/C13H17NO2/c1-2-6-14-12(13-4-3-7-16-13)9-11-5-8-15-10-11/h3-5,7-8,10,12,14H,2,6,9H2,1H3
InChIKeyROZVKUHTKRBUJB-UHFFFAOYSA-N
XLogP3.16
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105177705
N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176142
N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029882

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 83175419) is N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is ROZVKUHTKRBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-6-14-12(13-4-3-7-16-13)9-11-5-8-15-10-11/h3-5,7-8,10,12,14H,2,6,9H2,1H3.
What are the key properties of N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 219.28 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83175419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).