4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol

C17H21NO2 — CID 11630418

IUPAC4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol
SMILESCc1cc(C)cc(CNCC(O)c2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO2/c1-12-7-13(2)9-14(8-12)10-18-11-17(20)15-3-5-16(19)6-4-15/h3-9,17-20H,10-11H2,1-2H3
InChIKeyLFVJXGJXRMFILV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.83
Rot. Bonds5

About 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol

4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol (PubChem CID 11630418) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol
PubChem CID11630418
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol
SMILESCc1cc(C)cc(CNCC(O)c2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO2/c1-12-7-13(2)9-14(8-12)10-18-11-17(20)15-3-5-16(19)6-4-15/h3-9,17-20H,10-11H2,1-2H3
InChIKeyLFVJXGJXRMFILV-UHFFFAOYSA-N
XLogP2.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 71368839
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731563
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol?
The IUPAC name of 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol (CID 11630418) is 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol is Cc1cc(C)cc(CNCC(O)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol?
The InChIKey is LFVJXGJXRMFILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-7-13(2)9-14(8-12)10-18-11-17(20)15-3-5-16(19)6-4-15/h3-9,17-20H,10-11H2,1-2H3.
What are the key properties of 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol?
4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 11630418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).