(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine

C17H20FNO2 — CID 28623582

IUPAC(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCOc1cc(CN[C@H](C)c2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12(14-4-6-15(18)7-5-14)19-11-13-8-16(20-2)10-17(9-13)21-3/h4-10,12,19H,11H2,1-3H3/t12-/m1/s1
InChIKeyDCNNDFZBSYWTRL-GFCCVEGCSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds6

About (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 28623582) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID28623582
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCOc1cc(CN[C@H](C)c2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C17H20FNO2/c1-12(14-4-6-15(18)7-5-14)19-11-13-8-16(20-2)10-17(9-13)21-3/h4-10,12,19H,11H2,1-3H3/t12-/m1/s1
InChIKeyDCNNDFZBSYWTRL-GFCCVEGCSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
(1R)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351806
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 79831415
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 43078961
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 28623582) is (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine is COc1cc(CN[C@H](C)c2ccc(F)cc2)cc(OC)c1.
What is the InChIKey of (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is DCNNDFZBSYWTRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(14-4-6-15(18)7-5-14)19-11-13-8-16(20-2)10-17(9-13)21-3/h4-10,12,19H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 28623582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).