N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline

C15H26N2O2 — CID 122228815

IUPACN-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline
SMILESCCOC(CNc1ccccc1CN(C)C)OCC
InChIInChI=1S/C15H26N2O2/c1-5-18-15(19-6-2)11-16-14-10-8-7-9-13(14)12-17(3)4/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKeyGNDHVLNKBUFXCQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.56
Rot. Bonds9

About N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline

N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline (PubChem CID 122228815) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline
PubChem CID122228815
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline
SMILESCCOC(CNc1ccccc1CN(C)C)OCC
InChIInChI=1S/C15H26N2O2/c1-5-18-15(19-6-2)11-16-14-10-8-7-9-13(14)12-17(3)4/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKeyGNDHVLNKBUFXCQ-UHFFFAOYSA-N
XLogP2.56
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-2-ethoxyaniline
CID 81093703
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
N-(2,2-diethoxyethyl)-2,3-difluoroaniline
CID 81093077
N-(3,3-diethoxypropyl)-2-ethylaniline
CID 81094600
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide
CID 79548465
2-[[2-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81418794
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
CID 115523780
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 81094380
N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43750094

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline?
The IUPAC name of N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline (CID 122228815) is N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline is CCOC(CNc1ccccc1CN(C)C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline?
The InChIKey is GNDHVLNKBUFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-18-15(19-6-2)11-16-14-10-8-7-9-13(14)12-17(3)4/h7-10,15-16H,5-6,11-12H2,1-4H3.
What are the key properties of N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline?
N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline has a molecular weight of 266.38 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 122228815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).