N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine

C12H19NO3 — CID 63556735

IUPACN-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine
SMILESCC(CNCc1ccco1)OC1CCOC1
InChIInChI=1S/C12H19NO3/c1-10(16-12-4-6-14-9-12)7-13-8-11-3-2-5-15-11/h2-3,5,10,12-13H,4,6-9H2,1H3
InChIKeyPLTUGFCRPPKWLM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.56
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine

N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine (PubChem CID 63556735) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine
PubChem CID63556735
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine
SMILESCC(CNCc1ccco1)OC1CCOC1
InChIInChI=1S/C12H19NO3/c1-10(16-12-4-6-14-9-12)7-13-8-11-3-2-5-15-11/h2-3,5,10,12-13H,4,6-9H2,1H3
InChIKeyPLTUGFCRPPKWLM-UHFFFAOYSA-N
XLogP1.56
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(oxetan-3-yloxy)propan-1-amine
CID 102608367
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine
CID 115690981
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230
N-(furan-2-ylmethyl)-2-(3-methylbutoxy)propan-1-amine
CID 62565600
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
2-but-2-enoxy-N-(furan-2-ylmethyl)propan-1-amine
CID 76946759
N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
CID 115677915
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine
CID 63559327
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine (CID 63556735) is N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine is CC(CNCc1ccco1)OC1CCOC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine?
The InChIKey is PLTUGFCRPPKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(16-12-4-6-14-9-12)7-13-8-11-3-2-5-15-11/h2-3,5,10,12-13H,4,6-9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine?
N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(oxolan-3-yloxy)propan-1-amine is sourced from PubChem (CID 63556735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).