4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine

C16H20N2 — CID 63233710

IUPAC4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
SMILESCCN(CCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-2-18(16-10-8-15(17)9-11-16)13-12-14-6-4-3-5-7-14/h3-11H,2,12-13,17H2,1H3
InChIKeyNMZCJQIHPLOYQM-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.34
Rot. Bonds5

About 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine

4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine (PubChem CID 63233710) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
PubChem CID63233710
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
SMILESCCN(CCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-2-18(16-10-8-15(17)9-11-16)13-12-14-6-4-3-5-7-14/h3-11H,2,12-13,17H2,1H3
InChIKeyNMZCJQIHPLOYQM-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
CID 65347516
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
N,N-diethylaniline;hydrazine
CID 161037544
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine (CID 63233710) is 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine is CCN(CCc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
The InChIKey is NMZCJQIHPLOYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-18(16-10-8-15(17)9-11-16)13-12-14-6-4-3-5-7-14/h3-11H,2,12-13,17H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine is sourced from PubChem (CID 63233710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).