1,2-diethyl-4-methylbenzene;N-methylethanamine

C14H25N — CID 164855873

IUPAC1,2-diethyl-4-methylbenzene;N-methylethanamine
SMILESCCNC.CCc1ccc(C)cc1CC
InChIInChI=1S/C11H16.C3H9N/c1-4-10-7-6-9(3)8-11(10)5-2;1-3-4-2/h6-8H,4-5H2,1-3H3;4H,3H2,1-2H3
InChIKeyXOPHPBBVDCJDRK-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.35
Rot. Bonds3

About 1,2-diethyl-4-methylbenzene;N-methylethanamine

1,2-diethyl-4-methylbenzene;N-methylethanamine (PubChem CID 164855873) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1,2-diethyl-4-methylbenzene;N-methylethanamine.

Molecular Properties

Compound Name1,2-diethyl-4-methylbenzene;N-methylethanamine
PubChem CID164855873
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1,2-diethyl-4-methylbenzene;N-methylethanamine
SMILESCCNC.CCc1ccc(C)cc1CC
InChIInChI=1S/C11H16.C3H9N/c1-4-10-7-6-9(3)8-11(10)5-2;1-3-4-2/h6-8H,4-5H2,1-3H3;4H,3H2,1-2H3
InChIKeyXOPHPBBVDCJDRK-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
N,2-diethyl-4-methylaniline
CID 23348946
N,2-diethyl-5-methylaniline;ethane
CID 143835073
N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
2-ethyl-5-methylbenzenethiol
CID 91873863
1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
CID 143738826

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-methylbenzene;N-methylethanamine?
The IUPAC name of 1,2-diethyl-4-methylbenzene;N-methylethanamine (CID 164855873) is 1,2-diethyl-4-methylbenzene;N-methylethanamine.
What is the SMILES notation for 1,2-diethyl-4-methylbenzene;N-methylethanamine?
The canonical SMILES for 1,2-diethyl-4-methylbenzene;N-methylethanamine is CCNC.CCc1ccc(C)cc1CC.
What is the InChIKey of 1,2-diethyl-4-methylbenzene;N-methylethanamine?
The InChIKey is XOPHPBBVDCJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C3H9N/c1-4-10-7-6-9(3)8-11(10)5-2;1-3-4-2/h6-8H,4-5H2,1-3H3;4H,3H2,1-2H3.
What are the key properties of 1,2-diethyl-4-methylbenzene;N-methylethanamine?
1,2-diethyl-4-methylbenzene;N-methylethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-methylbenzene;N-methylethanamine is sourced from PubChem (CID 164855873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).