(5-ethyl-2,3-dimethylphenyl)methanamine

C11H17N — CID 117276223

IUPAC(5-ethyl-2,3-dimethylphenyl)methanamine
SMILESCCc1cc(C)c(C)c(CN)c1
InChIInChI=1S/C11H17N/c1-4-10-5-8(2)9(3)11(6-10)7-12/h5-6H,4,7,12H2,1-3H3
InChIKeyIAFXACSEQIKUOO-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.32
Rot. Bonds2

About (5-ethyl-2,3-dimethylphenyl)methanamine

(5-ethyl-2,3-dimethylphenyl)methanamine (PubChem CID 117276223) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (5-ethyl-2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-ethyl-2,3-dimethylphenyl)methanamine
PubChem CID117276223
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(5-ethyl-2,3-dimethylphenyl)methanamine
SMILESCCc1cc(C)c(C)c(CN)c1
InChIInChI=1S/C11H17N/c1-4-10-5-8(2)9(3)11(6-10)7-12/h5-6H,4,7,12H2,1-3H3
InChIKeyIAFXACSEQIKUOO-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117278206
1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
CID 117283284
2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
CID 117316222
3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 117341037
5-ethyl-2,3-dimethylbenzenesulfonamide
CID 58109757
(2,3-dimethyl-5-methylsulfonylphenyl)methanamine
CID 117304486
3,5-diethyl-2-methylaniline
CID 105432272
(3-bromo-5-ethyl-2-fluorophenyl)methanamine
CID 117335693
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762
5-ethyl-3-methylbenzene-1,2-diamine
CID 67923702
[1-(5-ethyl-2,3-dimethylphenyl)cyclobutyl]methanamine
CID 117310098
[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82506426

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,3-dimethylphenyl)methanamine?
The IUPAC name of (5-ethyl-2,3-dimethylphenyl)methanamine (CID 117276223) is (5-ethyl-2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (5-ethyl-2,3-dimethylphenyl)methanamine?
The canonical SMILES for (5-ethyl-2,3-dimethylphenyl)methanamine is CCc1cc(C)c(C)c(CN)c1.
What is the InChIKey of (5-ethyl-2,3-dimethylphenyl)methanamine?
The InChIKey is IAFXACSEQIKUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-5-8(2)9(3)11(6-10)7-12/h5-6H,4,7,12H2,1-3H3.
What are the key properties of (5-ethyl-2,3-dimethylphenyl)methanamine?
(5-ethyl-2,3-dimethylphenyl)methanamine has a molecular weight of 163.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 117276223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).