N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine

C16H21NO2 — CID 62548754

IUPACN-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
SMILESCCCc1ccc(OCc2occc2CNC)cc1
InChIInChI=1S/C16H21NO2/c1-3-4-13-5-7-15(8-6-13)19-12-16-14(11-17-2)9-10-18-16/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyFFUKTQQONCLNOL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.53
Rot. Bonds7

About N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine

N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 62548754) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
PubChem CID62548754
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
SMILESCCCc1ccc(OCc2occc2CNC)cc1
InChIInChI=1S/C16H21NO2/c1-3-4-13-5-7-15(8-6-13)19-12-16-14(11-17-2)9-10-18-16/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyFFUKTQQONCLNOL-UHFFFAOYSA-N
XLogP3.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452690
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 62548589
N-methyl-1-[2-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62451011
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
[3-[(4-butylphenoxy)methyl]furan-2-yl]methanamine
CID 115493291
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 63648415
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine (CID 62548754) is N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine is CCCc1ccc(OCc2occc2CNC)cc1.
What is the InChIKey of N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is FFUKTQQONCLNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-4-13-5-7-15(8-6-13)19-12-16-14(11-17-2)9-10-18-16/h5-10,17H,3-4,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine?
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62548754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).