1-(3,4-diethylphenyl)-N-methylmethanamine

C12H19N — CID 115482275

IUPAC1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(CNC)cc1CC
InChIInChI=1S/C12H19N/c1-4-11-7-6-10(9-13-3)8-12(11)5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyDHBPCOCBGCDSBH-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.53
Rot. Bonds4

About 1-(3,4-diethylphenyl)-N-methylmethanamine

1-(3,4-diethylphenyl)-N-methylmethanamine (PubChem CID 115482275) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-N-methylmethanamine
PubChem CID115482275
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(CNC)cc1CC
InChIInChI=1S/C12H19N/c1-4-11-7-6-10(9-13-3)8-12(11)5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyDHBPCOCBGCDSBH-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296
1,2-diethyl-4-propylbenzene
CID 54363919
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
5-(3,4-diethylphenyl)-N,3,3-trimethylpentan-1-amine
CID 115483394
5-ethyl-2-(methylaminomethyl)benzaldehyde
CID 143512508
1,2,4-triethylbenzene;1,2,3-trimethylbenzene
CID 160595635
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
[(2,4-diethylphenyl)methylamino] thiohypochlorite
CID 134459151
1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
CID 105409110
1-benzyl-2,4-diethylbenzene
CID 139691839

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-diethylphenyl)-N-methylmethanamine (CID 115482275) is 1-(3,4-diethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-diethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-diethylphenyl)-N-methylmethanamine is CCc1ccc(CNC)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)-N-methylmethanamine?
The InChIKey is DHBPCOCBGCDSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-7-6-10(9-13-3)8-12(11)5-2/h6-8,13H,4-5,9H2,1-3H3.
What are the key properties of 1-(3,4-diethylphenyl)-N-methylmethanamine?
1-(3,4-diethylphenyl)-N-methylmethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115482275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).