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

C18H21ClFNO — CID 170865688

IUPAC3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C18H21ClFNO/c1-21(2)12-6-8-14-7-3-4-11-18(14)22-13-15-16(19)9-5-10-17(15)20/h3-5,7,9-11H,6,8,12-13H2,1-2H3
InChIKeyIXWOLOZDQLGJMR-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.55
Rot. Bonds7

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

3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170865688) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170865688
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC Name3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C18H21ClFNO/c1-21(2)12-6-8-14-7-3-4-11-18(14)22-13-15-16(19)9-5-10-17(15)20/h3-5,7,9-11H,6,8,12-13H2,1-2H3
InChIKeyIXWOLOZDQLGJMR-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866459
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51990859
3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866319
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403
3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866415
3-[2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865955
1-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methylhydrazine
CID 82282557
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
2-(bromomethyl)-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 63535348
(2S)-N-[[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51996267
2-[3-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]-1-methyl-1-phenylguanidine
CID 54348508

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (CID 170865688) is 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is IXWOLOZDQLGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO/c1-21(2)12-6-8-14-7-3-4-11-18(14)22-13-15-16(19)9-5-10-17(15)20/h3-5,7,9-11H,6,8,12-13H2,1-2H3.
What are the key properties of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 321.82 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).