4-phenoxy-N-(3-phenylbutan-2-yl)aniline

C22H23NO — CID 168720364

IUPAC4-phenoxy-N-(3-phenylbutan-2-yl)aniline
SMILESCC(Nc1ccc(Oc2ccccc2)cc1)C(C)c1ccccc1
InChIInChI=1S/C22H23NO/c1-17(19-9-5-3-6-10-19)18(2)23-20-13-15-22(16-14-20)24-21-11-7-4-8-12-21/h3-18,23H,1-2H3
InChIKeyOMAMFVVQDMIAKK-UHFFFAOYSA-N
MW317.43 g/mol
LogP6.08
Rot. Bonds6

About 4-phenoxy-N-(3-phenylbutan-2-yl)aniline

4-phenoxy-N-(3-phenylbutan-2-yl)aniline (PubChem CID 168720364) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-phenoxy-N-(3-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-phenoxy-N-(3-phenylbutan-2-yl)aniline
PubChem CID168720364
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name4-phenoxy-N-(3-phenylbutan-2-yl)aniline
SMILESCC(Nc1ccc(Oc2ccccc2)cc1)C(C)c1ccccc1
InChIInChI=1S/C22H23NO/c1-17(19-9-5-3-6-10-19)18(2)23-20-13-15-22(16-14-20)24-21-11-7-4-8-12-21/h3-18,23H,1-2H3
InChIKeyOMAMFVVQDMIAKK-UHFFFAOYSA-N
XLogP6.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)-4-phenoxyaniline
CID 43111618
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
N-chloro-3-phenylbutan-2-amine
CID 89161860
4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34273923
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
anilino-[3-(4-methylphenoxy)phenyl]methanol
CID 142160349
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(3-phenylbutan-2-yl)aniline?
The IUPAC name of 4-phenoxy-N-(3-phenylbutan-2-yl)aniline (CID 168720364) is 4-phenoxy-N-(3-phenylbutan-2-yl)aniline.
What is the SMILES notation for 4-phenoxy-N-(3-phenylbutan-2-yl)aniline?
The canonical SMILES for 4-phenoxy-N-(3-phenylbutan-2-yl)aniline is CC(Nc1ccc(Oc2ccccc2)cc1)C(C)c1ccccc1.
What is the InChIKey of 4-phenoxy-N-(3-phenylbutan-2-yl)aniline?
The InChIKey is OMAMFVVQDMIAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-17(19-9-5-3-6-10-19)18(2)23-20-13-15-22(16-14-20)24-21-11-7-4-8-12-21/h3-18,23H,1-2H3.
What are the key properties of 4-phenoxy-N-(3-phenylbutan-2-yl)aniline?
4-phenoxy-N-(3-phenylbutan-2-yl)aniline has a molecular weight of 317.43 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(3-phenylbutan-2-yl)aniline is sourced from PubChem (CID 168720364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).