[(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine

C21H27N3O2 — CID 95210621

IUPAC[(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCN1CCN(Cc2ccccc2Oc2ccc3c(c2)C[C@H](CN)O3)CC1
InChIInChI=1S/C21H27N3O2/c1-23-8-10-24(11-9-23)15-16-4-2-3-5-20(16)25-18-6-7-21-17(12-18)13-19(14-22)26-21/h2-7,12,19H,8-11,13-15,22H2,1H3/t19-/m1/s1
InChIKeyGCZQLTSYEHFUAZ-LJQANCHMSA-N
MW353.47 g/mol
LogP2.49
Rot. Bonds5

About [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95210621) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95210621
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCN1CCN(Cc2ccccc2Oc2ccc3c(c2)C[C@H](CN)O3)CC1
InChIInChI=1S/C21H27N3O2/c1-23-8-10-24(11-9-23)15-16-4-2-3-5-20(16)25-18-6-7-21-17(12-18)13-19(14-22)26-21/h2-7,12,19H,8-11,13-15,22H2,1H3/t19-/m1/s1
InChIKeyGCZQLTSYEHFUAZ-LJQANCHMSA-N
XLogP2.49
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine with MolForge

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Related Compounds

1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine
CID 56720123
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-2-amine
CID 117372131
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methanamine
CID 118759786
1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
CID 56713052
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95210621) is [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine is CN1CCN(Cc2ccccc2Oc2ccc3c(c2)C[C@H](CN)O3)CC1.
What is the InChIKey of [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is GCZQLTSYEHFUAZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-8-10-24(11-9-23)15-16-4-2-3-5-20(16)25-18-6-7-21-17(12-18)13-19(14-22)26-21/h2-7,12,19H,8-11,13-15,22H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 353.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95210621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).