(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol

C18H23NO3 — CID 111449960

IUPAC(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(CN[C@H](CCO)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H23NO3/c1-21-16-9-8-15(18(12-16)22-2)13-19-17(10-11-20)14-6-4-3-5-7-14/h3-9,12,17,19-20H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeyILWVCZKTKZABQU-QGZVFWFLSA-N
MW301.39 g/mol
LogP2.92
Rot. Bonds8

About (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol

(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 111449960) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID111449960
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(CN[C@H](CCO)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H23NO3/c1-21-16-9-8-15(18(12-16)22-2)13-19-17(10-11-20)14-6-4-3-5-7-14/h3-9,12,17,19-20H,10-11,13H2,1-2H3/t17-/m1/s1
InChIKeyILWVCZKTKZABQU-QGZVFWFLSA-N
XLogP2.92
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 104666985
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
(3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol
CID 111449901
(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311637
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708945

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol (CID 111449960) is (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol is COc1ccc(CN[C@H](CCO)c2ccccc2)c(OC)c1.
What is the InChIKey of (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is ILWVCZKTKZABQU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-16-9-8-15(18(12-16)22-2)13-19-17(10-11-20)14-6-4-3-5-7-14/h3-9,12,17,19-20H,10-11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111449960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).