1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol

C19H25NO2 — CID 110904741

IUPAC1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(C(C)NCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-15-8-10-18(11-9-15)16(2)20-12-19(21)14-22-13-17-6-4-3-5-7-17/h3-11,16,19-21H,12-14H2,1-2H3
InChIKeyZWOGRFBRQLGHKB-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.22
Rot. Bonds8

About 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol

1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 110904741) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
PubChem CID110904741
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(C(C)NCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-15-8-10-18(11-9-15)16(2)20-12-19(21)14-22-13-17-6-4-3-5-7-17/h3-11,16,19-21H,12-14H2,1-2H3
InChIKeyZWOGRFBRQLGHKB-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-difluorophenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110877396
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81393836
(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7934702
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959135
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol (CID 110904741) is 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol is Cc1ccc(C(C)NCC(O)COCc2ccccc2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is ZWOGRFBRQLGHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-8-10-18(11-9-15)16(2)20-12-19(21)14-22-13-17-6-4-3-5-7-17/h3-11,16,19-21H,12-14H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol?
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 110904741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).