2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol

C14H25NO3 — CID 81411518

IUPAC2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCCOCc1ccco1
InChIInChI=1S/C14H25NO3/c1-3-14(2,12-16)11-15-7-5-8-17-10-13-6-4-9-18-13/h4,6,9,15-16H,3,5,7-8,10-12H2,1-2H3
InChIKeyTUIJQISMFQQLGC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.18
Rot. Bonds10

About 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol

2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81411518) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
PubChem CID81411518
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCCOCc1ccco1
InChIInChI=1S/C14H25NO3/c1-3-14(2,12-16)11-15-7-5-8-17-10-13-6-4-9-18-13/h4,6,9,15-16H,3,5,7-8,10-12H2,1-2H3
InChIKeyTUIJQISMFQQLGC-UHFFFAOYSA-N
XLogP2.18
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol (CID 81411518) is 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCCCOCc1ccco1.
What is the InChIKey of 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is TUIJQISMFQQLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-14(2,12-16)11-15-7-5-8-17-10-13-6-4-9-18-13/h4,6,9,15-16H,3,5,7-8,10-12H2,1-2H3.
What are the key properties of 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol?
2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81411518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).