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

C17H19ClFNO — CID 102857527

IUPAC1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(OC)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFNO/c1-20-14(10-12-6-8-15(21-2)9-7-12)11-13-4-3-5-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyKFLANQNGYDWKFY-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.86
Rot. Bonds6

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

1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 102857527) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID102857527
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(OC)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C17H19ClFNO/c1-20-14(10-12-6-8-15(21-2)9-7-12)11-13-4-3-5-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyKFLANQNGYDWKFY-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063
1-(2-chlorophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 104793876
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
[2-(3-chloro-2-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105264387
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105264373
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine (CID 102857527) is 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(OC)cc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is KFLANQNGYDWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-20-14(10-12-6-8-15(21-2)9-7-12)11-13-4-3-5-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 102857527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).