2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol

C18H23NO — CID 61237493

IUPAC2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
SMILESCc1ccc(C)c(C(C)Nc2ccc(CCO)cc2)c1
InChIInChI=1S/C18H23NO/c1-13-4-5-14(2)18(12-13)15(3)19-17-8-6-16(7-9-17)10-11-20/h4-9,12,15,19-20H,10-11H2,1-3H3
InChIKeyIXKPJQTWYDDFCQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.01
Rot. Bonds5

About 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol

2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol (PubChem CID 61237493) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
PubChem CID61237493
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
SMILESCc1ccc(C)c(C(C)Nc2ccc(CCO)cc2)c1
InChIInChI=1S/C18H23NO/c1-13-4-5-14(2)18(12-13)15(3)19-17-8-6-16(7-9-17)10-11-20/h4-9,12,15,19-20H,10-11H2,1-3H3
InChIKeyIXKPJQTWYDDFCQ-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylaniline
CID 43094148
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
CID 43098508
4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43099731
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol (CID 61237493) is 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol is Cc1ccc(C)c(C(C)Nc2ccc(CCO)cc2)c1.
What is the InChIKey of 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol?
The InChIKey is IXKPJQTWYDDFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-4-5-14(2)18(12-13)15(3)19-17-8-6-16(7-9-17)10-11-20/h4-9,12,15,19-20H,10-11H2,1-3H3.
What are the key properties of 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol?
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol has a molecular weight of 269.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol is sourced from PubChem (CID 61237493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).