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

C17H19ClFN — CID 106867013

IUPAC1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-12-6-7-14(17(18)8-12)11-16(20-2)10-13-4-3-5-15(19)9-13/h3-9,16,20H,10-11H2,1-2H3
InChIKeyKDTMESYSMSNARD-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.16
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 106867013) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
PubChem CID106867013
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-12-6-7-14(17(18)8-12)11-16(20-2)10-13-4-3-5-15(19)9-13/h3-9,16,20H,10-11H2,1-2H3
InChIKeyKDTMESYSMSNARD-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
2-chloro-1-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-methylbenzene
CID 106870664
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 79699824
1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (CID 106867013) is 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(F)c1)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is KDTMESYSMSNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-6-7-14(17(18)8-12)11-16(20-2)10-13-4-3-5-15(19)9-13/h3-9,16,20H,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 106867013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).