4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline

C18H24N2 — CID 115212571

IUPAC4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
SMILESCCc1ccc(CCN(C)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H24N2/c1-3-15-4-6-16(7-5-15)12-13-20(2)14-17-8-10-18(19)11-9-17/h4-11H,3,12-14,19H2,1-2H3
InChIKeyCTGMLOTTXMRNJD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.51
Rot. Bonds6

About 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline

4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline (PubChem CID 115212571) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
PubChem CID115212571
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
SMILESCCc1ccc(CCN(C)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H24N2/c1-3-15-4-6-16(7-5-15)12-13-20(2)14-17-8-10-18(19)11-9-17/h4-11H,3,12-14,19H2,1-2H3
InChIKeyCTGMLOTTXMRNJD-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
4-ethylaniline;hydrobromide
CID 86059477
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
CID 115215688
4-[2-[(3-butoxy-4-methoxyphenyl)methyl-methylamino]ethyl]aniline
CID 20646928

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline?
The IUPAC name of 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline (CID 115212571) is 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline.
What is the SMILES notation for 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline?
The canonical SMILES for 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline is CCc1ccc(CCN(C)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline?
The InChIKey is CTGMLOTTXMRNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-15-4-6-16(7-5-15)12-13-20(2)14-17-8-10-18(19)11-9-17/h4-11H,3,12-14,19H2,1-2H3.
What are the key properties of 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline?
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline is sourced from PubChem (CID 115212571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).