3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine

C19H24FNO2 — CID 170866274

IUPAC3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(CCCN(C)C)cc1OCc1cccc(F)c1
InChIInChI=1S/C19H24FNO2/c1-21(2)11-5-7-15-9-10-18(22-3)19(13-15)23-14-16-6-4-8-17(20)12-16/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3
InChIKeyRMDUOZYUGATTDA-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.91
Rot. Bonds8

About 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine

3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866274) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866274
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(CCCN(C)C)cc1OCc1cccc(F)c1
InChIInChI=1S/C19H24FNO2/c1-21(2)11-5-7-15-9-10-18(22-3)19(13-15)23-14-16-6-4-8-17(20)12-16/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3
InChIKeyRMDUOZYUGATTDA-UHFFFAOYSA-N
XLogP3.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866415
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866352
1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 74237501
1-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385669
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
3-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 170865479
(3aS,6aR)-2-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139598668

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine (CID 170866274) is 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine is COc1ccc(CCCN(C)C)cc1OCc1cccc(F)c1.
What is the InChIKey of 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is RMDUOZYUGATTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-21(2)11-5-7-15-9-10-18(22-3)19(13-15)23-14-16-6-4-8-17(20)12-16/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3.
What are the key properties of 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine?
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 317.40 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).