2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol

C18H23NO — CID 107699855

IUPAC2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
SMILESCc1ccc(NC(C)c2ccc(C(C)C)cc2)cc1O
InChIInChI=1S/C18H23NO/c1-12(2)15-6-8-16(9-7-15)14(4)19-17-10-5-13(3)18(20)11-17/h5-12,14,19-20H,1-4H3
InChIKeyCTMNWRWZOGNHOA-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.00
Rot. Bonds4

About 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol

2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol (PubChem CID 107699855) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
PubChem CID107699855
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
SMILESCc1ccc(NC(C)c2ccc(C(C)C)cc2)cc1O
InChIInChI=1S/C18H23NO/c1-12(2)15-6-8-16(9-7-15)14(4)19-17-10-5-13(3)18(20)11-17/h5-12,14,19-20H,1-4H3
InChIKeyCTMNWRWZOGNHOA-UHFFFAOYSA-N
XLogP5.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107700001
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CID 107699751
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CID 43093665
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol
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2-(3-hydroxy-4-methylanilino)propanoic acid
CID 107700440
5-[1-(3-iodo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107705679
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol
CID 107700835
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
CID 43105910
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol?
The IUPAC name of 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol (CID 107699855) is 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol.
What is the SMILES notation for 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol?
The canonical SMILES for 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol is Cc1ccc(NC(C)c2ccc(C(C)C)cc2)cc1O.
What is the InChIKey of 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol?
The InChIKey is CTMNWRWZOGNHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(2)15-6-8-16(9-7-15)14(4)19-17-10-5-13(3)18(20)11-17/h5-12,14,19-20H,1-4H3.
What are the key properties of 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol?
2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol has a molecular weight of 269.39 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol is sourced from PubChem (CID 107699855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).