N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine

C16H28N2 — CID 113314749

IUPACN-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCCN(Cc1ccccc1CCNC)CC(C)C
InChIInChI=1S/C16H28N2/c1-5-18(12-14(2)3)13-16-9-7-6-8-15(16)10-11-17-4/h6-9,14,17H,5,10-13H2,1-4H3
InChIKeyKHOZTISQECSFKX-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.93
Rot. Bonds8

About N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine

N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine (PubChem CID 113314749) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
PubChem CID113314749
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCCN(Cc1ccccc1CCNC)CC(C)C
InChIInChI=1S/C16H28N2/c1-5-18(12-14(2)3)13-16-9-7-6-8-15(16)10-11-17-4/h6-9,14,17H,5,10-13H2,1-4H3
InChIKeyKHOZTISQECSFKX-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
2-[2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylethanamine
CID 115464256
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
1-methoxy-N-(2-methoxyethyl)-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-2-amine
CID 115463997
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617
N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
N-ethyl-N-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62469591
3-[[ethyl(2-methylpropyl)amino]methyl]-2-fluorobenzonitrile
CID 103912046
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 43273971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine (CID 113314749) is N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine is CCN(Cc1ccccc1CCNC)CC(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
The InChIKey is KHOZTISQECSFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-18(12-14(2)3)13-16-9-7-6-8-15(16)10-11-17-4/h6-9,14,17H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 113314749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).