2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen

C14H27N — CID 145215034

IUPAC2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
SMILESCC.CCNCCc1ccc(C)c(C)c1.[H][H]
InChIInChI=1S/C12H19N.C2H6.H2/c1-4-13-8-7-12-6-5-10(2)11(3)9-12;1-2;/h5-6,9,13H,4,7-8H2,1-3H3;1-2H3;1H
InChIKeyXUEDRRVOCGDAGO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen

2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen (PubChem CID 145215034) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
PubChem CID145215034
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
SMILESCC.CCNCCc1ccc(C)c(C)c1.[H][H]
InChIInChI=1S/C12H19N.C2H6.H2/c1-4-13-8-7-12-6-5-10(2)11(3)9-12;1-2;/h5-6,9,13H,4,7-8H2,1-3H3;1-2H3;1H
InChIKeyXUEDRRVOCGDAGO-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
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

N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
CID 67679767
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 144851881
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200140
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine
CID 116997857
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
2-chloro-4-[2-(ethylamino)ethyl]phenol
CID 64868775

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen (CID 145215034) is 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen is CC.CCNCCc1ccc(C)c(C)c1.[H][H].
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen?
The InChIKey is XUEDRRVOCGDAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C2H6.H2/c1-4-13-8-7-12-6-5-10(2)11(3)9-12;1-2;/h5-6,9,13H,4,7-8H2,1-3H3;1-2H3;1H.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen?
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen has a molecular weight of 209.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen is sourced from PubChem (CID 145215034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).