N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine

C15H19NO2 — CID 50969326

IUPACN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)N(C)Cc2ccco2)cc1
InChIInChI=1S/C15H19NO2/c1-12(13-6-8-14(17-3)9-7-13)16(2)11-15-5-4-10-18-15/h4-10,12H,11H2,1-3H3
InChIKeyKGHCWCFQRNWMPU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.48
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 50969326) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID50969326
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)N(C)Cc2ccco2)cc1
InChIInChI=1S/C15H19NO2/c1-12(13-6-8-14(17-3)9-7-13)16(2)11-15-5-4-10-18-15/h4-10,12H,11H2,1-3H3
InChIKeyKGHCWCFQRNWMPU-UHFFFAOYSA-N
XLogP3.48
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
CID 95159972
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
3-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-4-(furan-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232772
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
CID 54080971
2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
CID 61099442
N-(furan-2-ylmethyl)-N-[(3R)-3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 1427005

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine (CID 50969326) is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine is COc1ccc(C(C)N(C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is KGHCWCFQRNWMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(13-6-8-14(17-3)9-7-13)16(2)11-15-5-4-10-18-15/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine?
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 50969326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).