2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine

C18H24N2 — CID 81079797

IUPAC2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine
SMILESCCC(CN)CCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-2-15(14-19)12-13-20-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,20H,2,12-14,19H2,1H3
InChIKeyBYPRMKGOSWBQNO-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.14
Rot. Bonds7

About 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine

2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine (PubChem CID 81079797) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine
PubChem CID81079797
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine
SMILESCCC(CN)CCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-2-15(14-19)12-13-20-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,20H,2,12-14,19H2,1H3
InChIKeyBYPRMKGOSWBQNO-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine
CID 115251452
N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine
CID 15319690
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497
ethane;N'-phenylethane-1,2-diamine
CID 91048519
molecular hydrogen;N'-phenylethane-1,2-diamine;propane
CID 143734576
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine
CID 151152805
N-[2-(1-aminocyclopentyl)ethyl]-4-phenylaniline
CID 64680569
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline
CID 115942525
(2R)-2-benzylbutan-1-amine
CID 42325983
(3S)-4-methyl-1-N-phenylpentane-1,3-diamine
CID 71530639

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine?
The IUPAC name of 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine (CID 81079797) is 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine?
The canonical SMILES for 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine is CCC(CN)CCNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine?
The InChIKey is BYPRMKGOSWBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-15(14-19)12-13-20-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,20H,2,12-14,19H2,1H3.
What are the key properties of 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine?
2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine is sourced from PubChem (CID 81079797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).