1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine

C17H23NO3 — CID 54849914

IUPAC1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESCCC(C)Oc1ccc(CNCc2ccco2)cc1OC
InChIInChI=1S/C17H23NO3/c1-4-13(2)21-16-8-7-14(10-17(16)19-3)11-18-12-15-6-5-9-20-15/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyABYJTIFRIJADPG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.76
Rot. Bonds8

About 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine

1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 54849914) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
PubChem CID54849914
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESCCC(C)Oc1ccc(CNCc2ccco2)cc1OC
InChIInChI=1S/C17H23NO3/c1-4-13(2)21-16-8-7-14(10-17(16)19-3)11-18-12-15-6-5-9-20-15/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyABYJTIFRIJADPG-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 171155021
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331636
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine (CID 54849914) is 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine is CCC(C)Oc1ccc(CNCc2ccco2)cc1OC.
What is the InChIKey of 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is ABYJTIFRIJADPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-13(2)21-16-8-7-14(10-17(16)19-3)11-18-12-15-6-5-9-20-15/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 54849914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).