(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol

C18H23NO2 — CID 111449990

IUPAC(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCCOc1cccc(CN[C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-2-21-17-10-6-7-15(13-17)14-19-18(11-12-20)16-8-4-3-5-9-16/h3-10,13,18-20H,2,11-12,14H2,1H3/t18-/m1/s1
InChIKeyFWQKVIFYELBUCC-GOSISDBHSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds8

About (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol

(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 111449990) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID111449990
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCCOc1cccc(CN[C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-2-21-17-10-6-7-15(13-17)14-19-18(11-12-20)16-8-4-3-5-9-16/h3-10,13,18-20H,2,11-12,14H2,1H3/t18-/m1/s1
InChIKeyFWQKVIFYELBUCC-GOSISDBHSA-N
XLogP3.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848728
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155887
2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
CID 111421772
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-ethoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 51606702
(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449962

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol (CID 111449990) is (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol is CCOc1cccc(CN[C@H](CCO)c2ccccc2)c1.
What is the InChIKey of (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is FWQKVIFYELBUCC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-21-17-10-6-7-15(13-17)14-19-18(11-12-20)16-8-4-3-5-9-16/h3-10,13,18-20H,2,11-12,14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111449990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).