4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline

C19H26N2 — CID 43108017

IUPAC4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCc1ccc(C(C)NCc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H26N2/c1-14-6-11-19(15(2)12-14)16(3)20-13-17-7-9-18(10-8-17)21(4)5/h6-12,16,20H,13H2,1-5H3
InChIKeyKEICZNMVCDVUDL-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.22
Rot. Bonds5

About 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline

4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline (PubChem CID 43108017) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
PubChem CID43108017
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCc1ccc(C(C)NCc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H26N2/c1-14-6-11-19(15(2)12-14)16(3)20-13-17-7-9-18(10-8-17)21(4)5/h6-12,16,20H,13H2,1-5H3
InChIKeyKEICZNMVCDVUDL-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43081375
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449103
N-[(4-methylphenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43103422
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 81436820
1-(2,4-dimethylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399400
2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine
CID 22662329
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43206318
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline (CID 43108017) is 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline is Cc1ccc(C(C)NCc2ccc(N(C)C)cc2)c(C)c1.
What is the InChIKey of 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline?
The InChIKey is KEICZNMVCDVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14-6-11-19(15(2)12-14)16(3)20-13-17-7-9-18(10-8-17)21(4)5/h6-12,16,20H,13H2,1-5H3.
What are the key properties of 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline?
4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline has a molecular weight of 282.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 43108017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).