2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide

C14H23N3O2 — CID 81298979

IUPAC2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(OC)ccc1CN
InChIInChI=1S/C14H23N3O2/c1-5-17(10-14(18)16(2)3)13-8-12(19-4)7-6-11(13)9-15/h6-8H,5,9-10,15H2,1-4H3
InChIKeyGJEKKGBMXNUSPO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.07
Rot. Bonds6

About 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide

2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide (PubChem CID 81298979) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
PubChem CID81298979
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(OC)ccc1CN
InChIInChI=1S/C14H23N3O2/c1-5-17(10-14(18)16(2)3)13-8-12(19-4)7-6-11(13)9-15/h6-8H,5,9-10,15H2,1-4H3
InChIKeyGJEKKGBMXNUSPO-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide
CID 81298153
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
2-(N-ethyl-4-methoxy-2-nitroanilino)acetic acid
CID 54900187
2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline
CID 81300212
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 81300114
2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CID 81298046
4-bromo-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 61448927
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide (CID 81298979) is 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(OC)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide?
The InChIKey is GJEKKGBMXNUSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-17(10-14(18)16(2)3)13-8-12(19-4)7-6-11(13)9-15/h6-8H,5,9-10,15H2,1-4H3.
What are the key properties of 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide?
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 81298979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).