methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate

C19H22N2O2 — CID 102258357

IUPACmethyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(C)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C19H22N2O2/c1-12-9-14(10-21(3)11-17(22)23-4)13(2)18-15-7-5-6-8-16(15)20-19(12)18/h5-9,20H,10-11H2,1-4H3
InChIKeyAMEJXFFDIQZUDJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.54
Rot. Bonds4

About methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate

methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate (PubChem CID 102258357) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate
PubChem CID102258357
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namemethyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(C)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C19H22N2O2/c1-12-9-14(10-21(3)11-17(22)23-4)13(2)18-15-7-5-6-8-16(15)20-19(12)18/h5-9,20H,10-11H2,1-4H3
InChIKeyAMEJXFFDIQZUDJ-UHFFFAOYSA-N
XLogP3.54
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]sulfanylaniline
CID 44612239
N-[(1,4-dimethyl-9H-carbazol-3-yl)methyl]-4-[(E)-2-[4-[(1,4-dimethyl-9H-carbazol-3-yl)methylamino]phenyl]ethenyl]aniline
CID 44612353
methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
CID 62027268
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide
CID 169403288
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
CID 60670382
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9196744
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate (CID 102258357) is methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1cc(C)c2[nH]c3ccccc3c2c1C.
What is the InChIKey of methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate?
The InChIKey is AMEJXFFDIQZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-9-14(10-21(3)11-17(22)23-4)13(2)18-15-7-5-6-8-16(15)20-19(12)18/h5-9,20H,10-11H2,1-4H3.
What are the key properties of methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate?
methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate has a molecular weight of 310.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate is sourced from PubChem (CID 102258357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).