N,3-diethyl-N-methylaniline

C11H17N — CID 131018542

IUPACN,3-diethyl-N-methylaniline
SMILESCCc1cccc(N(C)CC)c1
InChIInChI=1S/C11H17N/c1-4-10-7-6-8-11(9-10)12(3)5-2/h6-9H,4-5H2,1-3H3
InChIKeyCLEISTGJXRSIMT-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds3

About N,3-diethyl-N-methylaniline

N,3-diethyl-N-methylaniline (PubChem CID 131018542) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,3-diethyl-N-methylaniline.

Molecular Properties

Compound NameN,3-diethyl-N-methylaniline
PubChem CID131018542
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,3-diethyl-N-methylaniline
SMILESCCc1cccc(N(C)CC)c1
InChIInChI=1S/C11H17N/c1-4-10-7-6-8-11(9-10)12(3)5-2/h6-9H,4-5H2,1-3H3
InChIKeyCLEISTGJXRSIMT-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-methyl-N-propylsulfanylaniline
CID 170278747
N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
CID 84672641
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
CID 139519281
ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium
CID 164942161
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868
N-(4-ethenylphenyl)-3-ethyl-N-methylaniline
CID 118311414
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
1-(3-ethylphenyl)-1-methylguanidine
CID 19009787
4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271680
3-ethyl-N-propan-2-yl-N-(trifluoromethyl)aniline
CID 71635094

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-methylaniline?
The IUPAC name of N,3-diethyl-N-methylaniline (CID 131018542) is N,3-diethyl-N-methylaniline.
What is the SMILES notation for N,3-diethyl-N-methylaniline?
The canonical SMILES for N,3-diethyl-N-methylaniline is CCc1cccc(N(C)CC)c1.
What is the InChIKey of N,3-diethyl-N-methylaniline?
The InChIKey is CLEISTGJXRSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-7-6-8-11(9-10)12(3)5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of N,3-diethyl-N-methylaniline?
N,3-diethyl-N-methylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-methylaniline is sourced from PubChem (CID 131018542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).