N-[(3-ethylphenyl)methyl]ethanamine

C11H17N — CID 79003665

IUPACN-[(3-ethylphenyl)methyl]ethanamine
SMILESCCNCc1cccc(CC)c1
InChIInChI=1S/C11H17N/c1-3-10-6-5-7-11(8-10)9-12-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyBJMOXHMIGDHZCU-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.36
Rot. Bonds4

About N-[(3-ethylphenyl)methyl]ethanamine

N-[(3-ethylphenyl)methyl]ethanamine (PubChem CID 79003665) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]ethanamine
PubChem CID79003665
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(3-ethylphenyl)methyl]ethanamine
SMILESCCNCc1cccc(CC)c1
InChIInChI=1S/C11H17N/c1-3-10-6-5-7-11(8-10)9-12-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyBJMOXHMIGDHZCU-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
3-(ethylaminomethyl)benzaldehyde
CID 90105279
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
[3-(ethylaminomethyl)phenyl]boronic acid
CID 46785556
N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine
CID 166969949
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
(3-ethylphenyl)methylurea
CID 70298508
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylphenyl)methyl]ethanamine (CID 79003665) is N-[(3-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylphenyl)methyl]ethanamine is CCNCc1cccc(CC)c1.
What is the InChIKey of N-[(3-ethylphenyl)methyl]ethanamine?
The InChIKey is BJMOXHMIGDHZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-10-6-5-7-11(8-10)9-12-4-2/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of N-[(3-ethylphenyl)methyl]ethanamine?
N-[(3-ethylphenyl)methyl]ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 79003665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).