N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine

C17H20N4O2 — CID 91796661

IUPACN-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2ccoc2)cc1Cn1cncn1
InChIInChI=1S/C17H20N4O2/c1-20(9-15-5-6-23-11-15)8-14-3-4-17(22-2)16(7-14)10-21-13-18-12-19-21/h3-7,11-13H,8-10H2,1-2H3
InChIKeyGORPCPGDHYDUKE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.56
Rot. Bonds7

About N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine

N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 91796661) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID91796661
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2ccoc2)cc1Cn1cncn1
InChIInChI=1S/C17H20N4O2/c1-20(9-15-5-6-23-11-15)8-14-3-4-17(22-2)16(7-14)10-21-13-18-12-19-21/h3-7,11-13H,8-10H2,1-2H3
InChIKeyGORPCPGDHYDUKE-UHFFFAOYSA-N
XLogP2.56
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91769308
3-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]propan-1-amine
CID 170867990
[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 65338671
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 65339367
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56887902
1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidin-4-ylpiperidine
CID 146040890
3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 74240465
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)methanamine
CID 74233779
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18145614
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 131909526
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72893158

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine (CID 91796661) is N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine is COc1ccc(CN(C)Cc2ccoc2)cc1Cn1cncn1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is GORPCPGDHYDUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(9-15-5-6-23-11-15)8-14-3-4-17(22-2)16(7-14)10-21-13-18-12-19-21/h3-7,11-13H,8-10H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine?
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 312.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 91796661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).