1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine

C19H26FN3O — CID 56827346

IUPAC1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2cc(F)ccc2N2CCN(C)CC2)o1
InChIInChI=1S/C19H26FN3O/c1-14-4-6-17(24-14)13-21-15(2)18-12-16(20)5-7-19(18)23-10-8-22(3)9-11-23/h4-7,12,15,21H,8-11,13H2,1-3H3
InChIKeyFZQPAWOOVDCIDU-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.33
Rot. Bonds5

About 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine

1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 56827346) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID56827346
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2cc(F)ccc2N2CCN(C)CC2)o1
InChIInChI=1S/C19H26FN3O/c1-14-4-6-17(24-14)13-21-15(2)18-12-16(20)5-7-19(18)23-10-8-22(3)9-11-23/h4-7,12,15,21H,8-11,13H2,1-3H3
InChIKeyFZQPAWOOVDCIDU-UHFFFAOYSA-N
XLogP3.33
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
1-[(5-Bromo-2-furyl)methyl]-4-(2-methylphenyl)piperazine
CID 796777
1-Benzyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylphenyl)thiourea
CID 4276668
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-[1-(2-furyl)ethyl]thiourea
CID 5077637
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
N-(furan-2-ylmethyl)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 16293711
1-(2-furoyl)-N-(4-isopropylphenyl)-3-piperidinamine
CID 24817658
Oxamide, N-furfuryl-N'-(2,4-dimethylphenyl)-
CID 565940
5-(Furan-2-ylmethyl)-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
CID 751610
1-(Furan-2-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696318
1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 751605
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 1416550

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 56827346) is 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2cc(F)ccc2N2CCN(C)CC2)o1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is FZQPAWOOVDCIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-14-4-6-17(24-14)13-21-15(2)18-12-16(20)5-7-19(18)23-10-8-22(3)9-11-23/h4-7,12,15,21H,8-11,13H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine?
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 331.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 56827346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).