3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine

C19H23ClFNO2 — CID 170866459

IUPAC3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1cccc(CCCN(C)C)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C19H23ClFNO2/c1-22(2)12-6-8-14-7-4-11-18(23-3)19(14)24-13-15-16(20)9-5-10-17(15)21/h4-5,7,9-11H,6,8,12-13H2,1-3H3
InChIKeySWCDXSAVESMDBL-UHFFFAOYSA-N
MW351.85 g/mol
LogP4.56
Rot. Bonds8

About 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine

3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866459) has the molecular formula C19H23ClFNO2 and a molecular weight of 351.85 g/mol. Its IUPAC name is 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866459
Molecular FormulaC19H23ClFNO2
Molecular Weight351.85 g/mol
Exact Mass351.14
IUPAC Name3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1cccc(CCCN(C)C)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C19H23ClFNO2/c1-22(2)12-6-8-14-7-4-11-18(23-3)19(14)24-13-15-16(20)9-5-10-17(15)21/h4-5,7,9-11H,6,8,12-13H2,1-3H3
InChIKeySWCDXSAVESMDBL-UHFFFAOYSA-N
XLogP4.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170865688
4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870456
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110340270
(1S)-2-[[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 51988676
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine (CID 170866459) is 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine is COc1cccc(CCCN(C)C)c1OCc1c(F)cccc1Cl.
What is the InChIKey of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is SWCDXSAVESMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO2/c1-22(2)12-6-8-14-7-4-11-18(23-3)19(14)24-13-15-16(20)9-5-10-17(15)21/h4-5,7,9-11H,6,8,12-13H2,1-3H3.
What are the key properties of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine?
3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 351.85 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).