2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol

C21H21NO — CID 70214853

IUPAC2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
SMILESCc1cccc(N(c2ccccc2)c2ccc(CCO)cc2)c1
InChIInChI=1S/C21H21NO/c1-17-6-5-9-21(16-17)22(19-7-3-2-4-8-19)20-12-10-18(11-13-20)14-15-23/h2-13,16,23H,14-15H2,1H3
InChIKeyRQIWMQOHGBERSM-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.00
Rot. Bonds5

About 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol

2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol (PubChem CID 70214853) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
PubChem CID70214853
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
SMILESCc1cccc(N(c2ccccc2)c2ccc(CCO)cc2)c1
InChIInChI=1S/C21H21NO/c1-17-6-5-9-21(16-17)22(19-7-3-2-4-8-19)20-12-10-18(11-13-20)14-15-23/h2-13,16,23H,14-15H2,1H3
InChIKeyRQIWMQOHGBERSM-UHFFFAOYSA-N
XLogP5.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-[4-(2-iodoethyl)phenyl]-3-methyl-N-phenylaniline;N-[4-(6-iodohexyl)phenyl]-3-methyl-N-phenylaniline;methane
CID 160997290
2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135
3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
CID 134172904
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
2-[3-(N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580073
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol?
The IUPAC name of 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol (CID 70214853) is 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol?
The canonical SMILES for 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol is Cc1cccc(N(c2ccccc2)c2ccc(CCO)cc2)c1.
What is the InChIKey of 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol?
The InChIKey is RQIWMQOHGBERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-17-6-5-9-21(16-17)22(19-7-3-2-4-8-19)20-12-10-18(11-13-20)14-15-23/h2-13,16,23H,14-15H2,1H3.
What are the key properties of 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol?
2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol has a molecular weight of 303.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol is sourced from PubChem (CID 70214853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).