N-benzhydryl-4-ethylaniline

C21H21N — CID 175202309

IUPACN-benzhydryl-4-ethylaniline
SMILESCCc1ccc(NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-2-17-13-15-20(16-14-17)22-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21-22H,2H2,1H3
InChIKeyZVOWUXYNCRNNBP-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.45
Rot. Bonds5

About N-benzhydryl-4-ethylaniline

N-benzhydryl-4-ethylaniline (PubChem CID 175202309) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-benzhydryl-4-ethylaniline.

Molecular Properties

Compound NameN-benzhydryl-4-ethylaniline
PubChem CID175202309
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-benzhydryl-4-ethylaniline
SMILESCCc1ccc(NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-2-17-13-15-20(16-14-17)22-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21-22H,2H2,1H3
InChIKeyZVOWUXYNCRNNBP-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
CID 65382327
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-[diethoxyphosphinothioyl(phenyl)methyl]-4-ethylaniline
CID 4299558
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
CID 110902658
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
N-(1-phenylethyl)-4-propylaniline
CID 43078217
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
benzene;4-ethyl-N-phosphanylaniline
CID 175020681
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-ethylaniline?
The IUPAC name of N-benzhydryl-4-ethylaniline (CID 175202309) is N-benzhydryl-4-ethylaniline.
What is the SMILES notation for N-benzhydryl-4-ethylaniline?
The canonical SMILES for N-benzhydryl-4-ethylaniline is CCc1ccc(NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-ethylaniline?
The InChIKey is ZVOWUXYNCRNNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-2-17-13-15-20(16-14-17)22-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21-22H,2H2,1H3.
What are the key properties of N-benzhydryl-4-ethylaniline?
N-benzhydryl-4-ethylaniline has a molecular weight of 287.41 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-ethylaniline is sourced from PubChem (CID 175202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).