1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine

C16H17ClFN — CID 114834017

IUPAC1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-16(19,10-12-4-2-6-14(17)8-12)11-13-5-3-7-15(18)9-13/h2-9H,10-11,19H2,1H3
InChIKeyJXMBWZDHGAMHNK-UHFFFAOYSA-N
MW277.77 g/mol
LogP3.98
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine

1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114834017) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114834017
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-16(19,10-12-4-2-6-14(17)8-12)11-13-5-3-7-15(18)9-13/h2-9H,10-11,19H2,1H3
InChIKeyJXMBWZDHGAMHNK-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(2,3-dihydro-1H-inden-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834039
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114833945
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 114834047
1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 114834111
5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114834078
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833275

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine (CID 114834017) is 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine is CC(N)(Cc1cccc(F)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is JXMBWZDHGAMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-16(19,10-12-4-2-6-14(17)8-12)11-13-5-3-7-15(18)9-13/h2-9H,10-11,19H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114834017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).