2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol

C19H25NO3 — CID 110174261

IUPAC2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
SMILESCOc1ccc(C(O)CCNC(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO3/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15/h3-11,14,18-22H,12-13H2,1-2H3
InChIKeyWOSYEKIGDGMPGA-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.83
Rot. Bonds8

About 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol

2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol (PubChem CID 110174261) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
PubChem CID110174261
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
SMILESCOc1ccc(C(O)CCNC(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO3/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15/h3-11,14,18-22H,12-13H2,1-2H3
InChIKeyWOSYEKIGDGMPGA-UHFFFAOYSA-N
XLogP2.83
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
2-[[3-(4-dodecylphenyl)-3-hydroxypropyl]amino]-1-phenylpropan-1-ol
CID 110177895
2-[[3-hydroxy-3-(4-nonylphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110177881
[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174260
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol (CID 110174261) is 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol is COc1ccc(C(O)CCNC(C)C(O)c2ccccc2)cc1.
What is the InChIKey of 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol?
The InChIKey is WOSYEKIGDGMPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15/h3-11,14,18-22H,12-13H2,1-2H3.
What are the key properties of 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol?
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol has a molecular weight of 315.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 110174261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).