N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine

C13H21N — CID 12587583

IUPACN-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(C)c1C
InChIInChI=1S/C13H21N/c1-5-14(6-2)10-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3
InChIKeyWBXZJEORRMNXMV-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.15
Rot. Bonds4

About N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine

N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine (PubChem CID 12587583) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
PubChem CID12587583
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(C)c1C
InChIInChI=1S/C13H21N/c1-5-14(6-2)10-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3
InChIKeyWBXZJEORRMNXMV-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67257070
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1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
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2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
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1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399
N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine
CID 138974312
ethane;1,2,3-trimethylbenzene
CID 54068667
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
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3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine (CID 12587583) is N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine is CCN(CC)Cc1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine?
The InChIKey is WBXZJEORRMNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-14(6-2)10-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine?
N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 12587583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).