N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine

C14H24N2 — CID 62423900

IUPACN-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
SMILESCCNCc1cccc(CN(C)C(C)C)c1
InChIInChI=1S/C14H24N2/c1-5-15-10-13-7-6-8-14(9-13)11-16(4)12(2)3/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyONMTWEMEFQUSGE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds6

About N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine

N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine (PubChem CID 62423900) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
PubChem CID62423900
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
SMILESCCNCc1cccc(CN(C)C(C)C)c1
InChIInChI=1S/C14H24N2/c1-5-15-10-13-7-6-8-14(9-13)11-16(4)12(2)3/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyONMTWEMEFQUSGE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665581
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62421924
N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine
CID 119110450
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine (CID 62423900) is N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine is CCNCc1cccc(CN(C)C(C)C)c1.
What is the InChIKey of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine?
The InChIKey is ONMTWEMEFQUSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-15-10-13-7-6-8-14(9-13)11-16(4)12(2)3/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine?
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine has a molecular weight of 220.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 62423900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).