3-ethyl-N,N-diphenyl-4-propan-2-ylaniline

C23H25N — CID 153273893

IUPAC3-ethyl-N,N-diphenyl-4-propan-2-ylaniline
SMILESCCc1cc(N(c2ccccc2)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C23H25N/c1-4-19-17-22(15-16-23(19)18(2)3)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,4H2,1-3H3
InChIKeyWXRCSSKEEBBQLC-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.84
Rot. Bonds5

About 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline

3-ethyl-N,N-diphenyl-4-propan-2-ylaniline (PubChem CID 153273893) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name3-ethyl-N,N-diphenyl-4-propan-2-ylaniline
PubChem CID153273893
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name3-ethyl-N,N-diphenyl-4-propan-2-ylaniline
SMILESCCc1cc(N(c2ccccc2)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C23H25N/c1-4-19-17-22(15-16-23(19)18(2)3)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,4H2,1-3H3
InChIKeyWXRCSSKEEBBQLC-UHFFFAOYSA-N
XLogP6.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3,4-di(propan-2-yl)phenyl]-4-methyl-N-phenyl-3-propan-2-ylaniline
CID 129035271
4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline
CID 54528925
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
4-methyl-N,N-diphenyl-3-propylaniline
CID 141411343
4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
CID 173271590
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
N-phenyl-2-propan-2-yl-N-[4-[4-(N-(2-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 19420171
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline?
The IUPAC name of 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline (CID 153273893) is 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline.
What is the SMILES notation for 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline?
The canonical SMILES for 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline is CCc1cc(N(c2ccccc2)c2ccccc2)ccc1C(C)C.
What is the InChIKey of 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline?
The InChIKey is WXRCSSKEEBBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-4-19-17-22(15-16-23(19)18(2)3)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,4H2,1-3H3.
What are the key properties of 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline?
3-ethyl-N,N-diphenyl-4-propan-2-ylaniline has a molecular weight of 315.46 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-diphenyl-4-propan-2-ylaniline is sourced from PubChem (CID 153273893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).