1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

C18H25NO2 — CID 62449489

IUPAC1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C18H25NO2/c1-13-6-7-16(15(10-13)18(2,3)4)21-12-14-8-9-20-17(14)11-19-5/h6-10,19H,11-12H2,1-5H3
InChIKeyHILRTAPAAOSAIL-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.18
Rot. Bonds5

About 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 62449489) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID62449489
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C18H25NO2/c1-13-6-7-16(15(10-13)18(2,3)4)21-12-14-8-9-20-17(14)11-19-5/h6-10,19H,11-12H2,1-5H3
InChIKeyHILRTAPAAOSAIL-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909
1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 107661174
N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62486962
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine
CID 62459453
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 107661326
N,N,2-trimethyl-1-[[2-(methylaminomethyl)furan-3-yl]methoxy]propan-2-amine
CID 79680056

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 62449489) is 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1COc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is HILRTAPAAOSAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-6-7-16(15(10-13)18(2,3)4)21-12-14-8-9-20-17(14)11-19-5/h6-10,19H,11-12H2,1-5H3.
What are the key properties of 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62449489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).