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

C16H20N2 — CID 83962401

IUPAC1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
SMILESCCNc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-2-17-15-8-10-16(11-9-15)18-13-12-14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3
InChIKeyGMBQFRZKVDXBQR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.77
Rot. Bonds6

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

1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine (PubChem CID 83962401) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
PubChem CID83962401
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
SMILESCCNc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-2-17-15-8-10-16(11-9-15)18-13-12-14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3
InChIKeyGMBQFRZKVDXBQR-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-phenylethyl)aniline
CID 91194556
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
CID 66675261
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
magnesium;N-ethylaniline;dibromide
CID 175384218

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine (CID 83962401) is 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine is CCNc1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
The InChIKey is GMBQFRZKVDXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-17-15-8-10-16(11-9-15)18-13-12-14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3.
What are the key properties of 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine?
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine is sourced from PubChem (CID 83962401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).