1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C13H23NO2 — CID 103027180

IUPAC1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccco1
InChIInChI=1S/C13H23NO2/c1-5-8-14-11(10-13(2,3)15-4)12-7-6-9-16-12/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyCOSLRPZQDSUOSV-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.14
Rot. Bonds7

About 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103027180) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103027180
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccco1
InChIInChI=1S/C13H23NO2/c1-5-8-14-11(10-13(2,3)15-4)12-7-6-9-16-12/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyCOSLRPZQDSUOSV-UHFFFAOYSA-N
XLogP3.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63833258
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493173
1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 103027526
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
1-(furan-2-yl)-N,2-dipropylpentan-1-amine
CID 82984685
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103027180) is 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is COSLRPZQDSUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-8-14-11(10-13(2,3)15-4)12-7-6-9-16-12/h6-7,9,11,14H,5,8,10H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103027180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).