1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol

C20H27NO2 — CID 112768289

IUPAC1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCc1ccc(C(C)NCC(O)COc2ccccc2C)cc1
InChIInChI=1S/C20H27NO2/c1-4-17-9-11-18(12-10-17)16(3)21-13-19(22)14-23-20-8-6-5-7-15(20)2/h5-12,16,19,21-22H,4,13-14H2,1-3H3
InChIKeyBLKRTEVRBAMTAF-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.65
Rot. Bonds8

About 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol

1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 112768289) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID112768289
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCc1ccc(C(C)NCC(O)COc2ccccc2C)cc1
InChIInChI=1S/C20H27NO2/c1-4-17-9-11-18(12-10-17)16(3)21-13-19(22)14-23-20-8-6-5-7-15(20)2/h5-12,16,19,21-22H,4,13-14H2,1-3H3
InChIKeyBLKRTEVRBAMTAF-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-(4-chloro-2-methylphenoxy)-3-[1-(4-ethylphenyl)ethylamino]propan-2-ol;hydrochloride
CID 138958863
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
1-[1-(4-ethylphenyl)ethylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138958832
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
CID 138958903
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol (CID 112768289) is 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol is CCc1ccc(C(C)NCC(O)COc2ccccc2C)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is BLKRTEVRBAMTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-17-9-11-18(12-10-17)16(3)21-13-19(22)14-23-20-8-6-5-7-15(20)2/h5-12,16,19,21-22H,4,13-14H2,1-3H3.
What are the key properties of 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 112768289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).