N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine

C13H21N — CID 139471599

IUPACN-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
SMILESCCNCCc1ccc(C)c(CC)c1
InChIInChI=1S/C13H21N/c1-4-13-10-12(7-6-11(13)3)8-9-14-5-2/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyQEYIMLMOVLBXKR-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine

N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine (PubChem CID 139471599) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
PubChem CID139471599
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
SMILESCCNCCc1ccc(C)c(CC)c1
InChIInChI=1S/C13H21N/c1-4-13-10-12(7-6-11(13)3)8-9-14-5-2/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyQEYIMLMOVLBXKR-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine
CID 116997857
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
2-chloro-4-[2-(ethylamino)ethyl]phenol
CID 64868775

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine (CID 139471599) is N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine is CCNCCc1ccc(C)c(CC)c1.
What is the InChIKey of N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine?
The InChIKey is QEYIMLMOVLBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-13-10-12(7-6-11(13)3)8-9-14-5-2/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine?
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine has a molecular weight of 191.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine is sourced from PubChem (CID 139471599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).