N,N-diethyl-3-[2-(methylamino)ethyl]aniline

C13H22N2 — CID 96768537

IUPACN,N-diethyl-3-[2-(methylamino)ethyl]aniline
SMILESCCN(CC)c1cccc(CCNC)c1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13-8-6-7-12(11-13)9-10-14-3/h6-8,11,14H,4-5,9-10H2,1-3H3
InChIKeyLSVWGUJCSOCMBK-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds6

About N,N-diethyl-3-[2-(methylamino)ethyl]aniline

N,N-diethyl-3-[2-(methylamino)ethyl]aniline (PubChem CID 96768537) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(methylamino)ethyl]aniline
PubChem CID96768537
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N-diethyl-3-[2-(methylamino)ethyl]aniline
SMILESCCN(CC)c1cccc(CCNC)c1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13-8-6-7-12(11-13)9-10-14-3/h6-8,11,14H,4-5,9-10H2,1-3H3
InChIKeyLSVWGUJCSOCMBK-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
3-(4-aminobutyl)-N,N-diethylaniline
CID 117314931
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N,N-diethyl-3-[(octadecylamino)methyl]aniline
CID 132514065
2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine
CID 117309692
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
1-N,3-N,3-N-triethylbenzene-1,3-diamine
CID 67930616
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(methylamino)ethyl]aniline?
The IUPAC name of N,N-diethyl-3-[2-(methylamino)ethyl]aniline (CID 96768537) is N,N-diethyl-3-[2-(methylamino)ethyl]aniline.
What is the SMILES notation for N,N-diethyl-3-[2-(methylamino)ethyl]aniline?
The canonical SMILES for N,N-diethyl-3-[2-(methylamino)ethyl]aniline is CCN(CC)c1cccc(CCNC)c1.
What is the InChIKey of N,N-diethyl-3-[2-(methylamino)ethyl]aniline?
The InChIKey is LSVWGUJCSOCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(5-2)13-8-6-7-12(11-13)9-10-14-3/h6-8,11,14H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-(methylamino)ethyl]aniline?
N,N-diethyl-3-[2-(methylamino)ethyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(methylamino)ethyl]aniline is sourced from PubChem (CID 96768537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).