1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C17H19ClFNO — CID 105397498

IUPAC1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-20-17(15-11-13(19)6-9-16(15)18)10-5-12-3-7-14(21-2)8-4-12/h3-4,6-9,11,17,20H,5,10H2,1-2H3
InChIKeyALGNWABVJVPIFX-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.38
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 105397498) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID105397498
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-20-17(15-11-13(19)6-9-16(15)18)10-5-12-3-7-14(21-2)8-4-12/h3-4,6-9,11,17,20H,5,10H2,1-2H3
InChIKeyALGNWABVJVPIFX-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
[1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105219321
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105396940
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
[1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 105398187
1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864754
1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 103215411
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene
CID 63433827

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 105397498) is 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNC(CCc1ccc(OC)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is ALGNWABVJVPIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-20-17(15-11-13(19)6-9-16(15)18)10-5-12-3-7-14(21-2)8-4-12/h3-4,6-9,11,17,20H,5,10H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 105397498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).