3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

C18H21ClFNO — CID 170866415

IUPAC3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Cl)ccc1OCc1cccc(F)c1
InChIInChI=1S/C18H21ClFNO/c1-21(2)10-4-6-15-12-16(19)8-9-18(15)22-13-14-5-3-7-17(20)11-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3
InChIKeyTVJADGSJDWAIAL-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.55
Rot. Bonds7

About 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866415) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866415
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC Name3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Cl)ccc1OCc1cccc(F)c1
InChIInChI=1S/C18H21ClFNO/c1-21(2)10-4-6-15-12-16(19)8-9-18(15)22-13-14-5-3-7-17(20)11-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3
InChIKeyTVJADGSJDWAIAL-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-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866336
3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170867838
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126127818
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720979
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
CID 170867877
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866352
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126116313
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170865688

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (CID 170866415) is 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(Cl)ccc1OCc1cccc(F)c1.
What is the InChIKey of 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is TVJADGSJDWAIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO/c1-21(2)10-4-6-15-12-16(19)8-9-18(15)22-13-14-5-3-7-17(20)11-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3.
What are the key properties of 3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
3-[5-chloro-2-[(3-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-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).