(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol

C19H25NO2 — CID 125467735

IUPAC(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
SMILESCOc1ccc(CC(CN(C)C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-20(2)14-17(19(21)16-7-5-4-6-8-16)13-15-9-11-18(22-3)12-10-15/h4-12,17,19,21H,13-14H2,1-3H3/t17?,19-/m0/s1
InChIKeyLDLZRUBTCZDJKR-NNBQYGFHSA-N
MW299.41 g/mol
LogP3.15
Rot. Bonds7

About (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol

(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol (PubChem CID 125467735) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
PubChem CID125467735
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
SMILESCOc1ccc(CC(CN(C)C)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-20(2)14-17(19(21)16-7-5-4-6-8-16)13-15-9-11-18(22-3)12-10-15/h4-12,17,19,21H,13-14H2,1-3H3/t17?,19-/m0/s1
InChIKeyLDLZRUBTCZDJKR-NNBQYGFHSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
CID 39869601
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
CID 11301457
anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane
CID 142251060
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol (CID 125467735) is (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol is COc1ccc(CC(CN(C)C)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol?
The InChIKey is LDLZRUBTCZDJKR-NNBQYGFHSA-N. The full InChI is InChI=1S/C19H25NO2/c1-20(2)14-17(19(21)16-7-5-4-6-8-16)13-15-9-11-18(22-3)12-10-15/h4-12,17,19,21H,13-14H2,1-3H3/t17?,19-/m0/s1.
What are the key properties of (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol?
(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 125467735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).