N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline

C19H26N2 — CID 105347402

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
SMILESCCNCCc1ccc(CN(C)c2ccccc2C)cc1
InChIInChI=1S/C19H26N2/c1-4-20-14-13-17-9-11-18(12-10-17)15-21(3)19-8-6-5-7-16(19)2/h5-12,20H,4,13-15H2,1-3H3
InChIKeyHCDGOGNJYXJDMT-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.78
Rot. Bonds7

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline (PubChem CID 105347402) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
PubChem CID105347402
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
SMILESCCNCCc1ccc(CN(C)c2ccccc2C)cc1
InChIInChI=1S/C19H26N2/c1-4-20-14-13-17-9-11-18(12-10-17)15-21(3)19-8-6-5-7-16(19)2/h5-12,20H,4,13-15H2,1-3H3
InChIKeyHCDGOGNJYXJDMT-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline
CID 105347406
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
CID 105347348
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
CID 105347405
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 115463927
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline (CID 105347402) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline is CCNCCc1ccc(CN(C)c2ccccc2C)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline?
The InChIKey is HCDGOGNJYXJDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-20-14-13-17-9-11-18(12-10-17)15-21(3)19-8-6-5-7-16(19)2/h5-12,20H,4,13-15H2,1-3H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline has a molecular weight of 282.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline is sourced from PubChem (CID 105347402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).