(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol

C16H19NO2 — CID 102174473

IUPAC(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
SMILESCOc1ccc(NC(C)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-12(16(18)13-6-4-3-5-7-13)17-14-8-10-15(19-2)11-9-14/h3-12,16-18H,1-2H3/t12?,16-/m0/s1
InChIKeyBGPTUDNLBOSFQD-INSVYWFGSA-N
MW257.33 g/mol
LogP3.23
Rot. Bonds5

About (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol

(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol (PubChem CID 102174473) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
PubChem CID102174473
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
SMILESCOc1ccc(NC(C)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-12(16(18)13-6-4-3-5-7-13)17-14-8-10-15(19-2)11-9-14/h3-12,16-18H,1-2H3/t12?,16-/m0/s1
InChIKeyBGPTUDNLBOSFQD-INSVYWFGSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
(1R,2S,3S)-3-(4-methoxyanilino)-2-methyl-1,3-diphenylpropan-1-ol
CID 101373003
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
CID 101146915
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide
CID 10829990
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
4-phenoxy-N-(3-phenylbutan-2-yl)aniline
CID 168720364
1-(4-methoxyanilino)-1-phenoxypropan-2-ol
CID 135372336
methyl (2S,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 102470524

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol?
The IUPAC name of (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol (CID 102174473) is (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol is COc1ccc(NC(C)[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol?
The InChIKey is BGPTUDNLBOSFQD-INSVYWFGSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(16(18)13-6-4-3-5-7-13)17-14-8-10-15(19-2)11-9-14/h3-12,16-18H,1-2H3/t12?,16-/m0/s1.
What are the key properties of (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol?
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol has a molecular weight of 257.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol is sourced from PubChem (CID 102174473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).