2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol

C18H23NO2 — CID 81367090

IUPAC2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
SMILESCOc1cc(C(C)N[C@@H](C)c2cccc(C)c2)ccc1O
InChIInChI=1S/C18H23NO2/c1-12-6-5-7-15(10-12)13(2)19-14(3)16-8-9-17(20)18(11-16)21-4/h5-11,13-14,19-20H,1-4H3/t13-,14?/m0/s1
InChIKeyHKBFKYVOYRYZBF-LSLKUGRBSA-N
MW285.39 g/mol
LogP4.12
Rot. Bonds5

About 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol

2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol (PubChem CID 81367090) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
PubChem CID81367090
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
SMILESCOc1cc(C(C)N[C@@H](C)c2cccc(C)c2)ccc1O
InChIInChI=1S/C18H23NO2/c1-12-6-5-7-15(10-12)13(2)19-14(3)16-8-9-17(20)18(11-16)21-4/h5-11,13-14,19-20H,1-4H3/t13-,14?/m0/s1
InChIKeyHKBFKYVOYRYZBF-LSLKUGRBSA-N
XLogP4.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
4-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81378019
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol (CID 81367090) is 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol is COc1cc(C(C)N[C@@H](C)c2cccc(C)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol?
The InChIKey is HKBFKYVOYRYZBF-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-5-7-15(10-12)13(2)19-14(3)16-8-9-17(20)18(11-16)21-4/h5-11,13-14,19-20H,1-4H3/t13-,14?/m0/s1.
What are the key properties of 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol?
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol is sourced from PubChem (CID 81367090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).