3-hexoxy-N-(4-phenylphenyl)aniline

C24H27NO — CID 90222153

IUPAC3-hexoxy-N-(4-phenylphenyl)aniline
SMILESCCCCCCOc1cccc(Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H27NO/c1-2-3-4-8-18-26-24-13-9-12-23(19-24)25-22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-7,9-17,19,25H,2-4,8,18H2,1H3
InChIKeyPXOQVIWWBSHFSP-UHFFFAOYSA-N
MW345.49 g/mol
LogP7.06
Rot. Bonds9

About 3-hexoxy-N-(4-phenylphenyl)aniline

3-hexoxy-N-(4-phenylphenyl)aniline (PubChem CID 90222153) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-hexoxy-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-hexoxy-N-(4-phenylphenyl)aniline
PubChem CID90222153
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name3-hexoxy-N-(4-phenylphenyl)aniline
SMILESCCCCCCOc1cccc(Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H27NO/c1-2-3-4-8-18-26-24-13-9-12-23(19-24)25-22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-7,9-17,19,25H,2-4,8,18H2,1H3
InChIKeyPXOQVIWWBSHFSP-UHFFFAOYSA-N
XLogP7.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-3-propoxyaniline
CID 71334741
2-N-(3-undecoxyphenyl)-4-N,6-N-bis(4-undecoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 58789715
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
1-(3-hexoxyphenyl)-3-phenylthiourea
CID 17094723
1-pentoxy-4-phenylbenzene
CID 7021155
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
1,3-dihexadecoxybenzene
CID 12686834
N-[(3-hexoxyphenyl)carbamothioyl]-4-phenylbenzamide
CID 17094873
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
3-octoxy-N-propan-2-ylaniline
CID 139718157

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-hexoxy-N-(4-phenylphenyl)aniline (CID 90222153) is 3-hexoxy-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-hexoxy-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-hexoxy-N-(4-phenylphenyl)aniline is CCCCCCOc1cccc(Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-hexoxy-N-(4-phenylphenyl)aniline?
The InChIKey is PXOQVIWWBSHFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-2-3-4-8-18-26-24-13-9-12-23(19-24)25-22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-7,9-17,19,25H,2-4,8,18H2,1H3.
What are the key properties of 3-hexoxy-N-(4-phenylphenyl)aniline?
3-hexoxy-N-(4-phenylphenyl)aniline has a molecular weight of 345.49 g/mol, XLogP of 7.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90222153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).