N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline

C19H26N2 — CID 105347348

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
SMILESCCNCCc1ccc(CN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C19H26N2/c1-4-20-13-12-17-8-10-18(11-9-17)15-21(3)19-7-5-6-16(2)14-19/h5-11,14,20H,4,12-13,15H2,1-3H3
InChIKeyJAKLZSLEVPVCSK-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.78
Rot. Bonds7

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline (PubChem CID 105347348) 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,3-dimethylaniline.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
PubChem CID105347348
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
SMILESCCNCCc1ccc(CN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C19H26N2/c1-4-20-13-12-17-8-10-18(11-9-17)15-21(3)19-7-5-6-16(2)14-19/h5-11,14,20H,4,12-13,15H2,1-3H3
InChIKeyJAKLZSLEVPVCSK-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,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
CID 105347402
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline
CID 105347406
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
CID 105347351
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene
CID 143911748
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol
CID 82978054
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline (CID 105347348) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline is CCNCCc1ccc(CN(C)c2cccc(C)c2)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline?
The InChIKey is JAKLZSLEVPVCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-20-13-12-17-8-10-18(11-9-17)15-21(3)19-7-5-6-16(2)14-19/h5-11,14,20H,4,12-13,15H2,1-3H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-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,3-dimethylaniline is sourced from PubChem (CID 105347348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).