2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol

C19H25NO — CID 67672789

IUPAC2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol
SMILESCC(C)C(Cc1ccccc1)N(CCO)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)19(15-17-9-5-3-6-10-17)20(13-14-21)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3
InChIKeyAPPYRXGCNLMJMM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.75
Rot. Bonds7

About 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol

2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol (PubChem CID 67672789) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol.

Molecular Properties

Compound Name2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol
PubChem CID67672789
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol
SMILESCC(C)C(Cc1ccccc1)N(CCO)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)19(15-17-9-5-3-6-10-17)20(13-14-21)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3
InChIKeyAPPYRXGCNLMJMM-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(1-phenylpentan-2-yl)anilino]ethanol
CID 67671910
2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
CID 67671911
4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol
CID 67671907
4-(N-(3-methyl-1-phenylbutan-2-yl)anilino)benzonitrile
CID 134926337
1-(N-benzylanilino)ethanol
CID 19010703
2-hydroxyethyl-[12-[2-hydroxyethyl-(1-hydroxy-2-phenylethyl)-methylazaniumyl]dodecyl]-(1-hydroxy-2-phenylethyl)-methylazanium
CID 70480514
2-(N-benzhydryl-4-methoxyanilino)ethanol
CID 67427582
2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol
CID 76605629
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol?
The IUPAC name of 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol (CID 67672789) is 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol.
What is the SMILES notation for 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol?
The canonical SMILES for 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol is CC(C)C(Cc1ccccc1)N(CCO)c1ccccc1.
What is the InChIKey of 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol?
The InChIKey is APPYRXGCNLMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)19(15-17-9-5-3-6-10-17)20(13-14-21)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3.
What are the key properties of 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol?
2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol has a molecular weight of 283.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol is sourced from PubChem (CID 67672789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).