1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine

C16H17ClFN — CID 102617543

IUPAC1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
SMILESCC(N)(Cc1ccccc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFN/c1-16(19,10-12-5-3-2-4-6-12)11-13-9-14(18)7-8-15(13)17/h2-9H,10-11,19H2,1H3
InChIKeyBEHSFTQFWDKAGR-UHFFFAOYSA-N
MW277.77 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine

1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine (PubChem CID 102617543) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
PubChem CID102617543
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
SMILESCC(N)(Cc1ccccc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFN/c1-16(19,10-12-5-3-2-4-6-12)11-13-9-14(18)7-8-15(13)17/h2-9H,10-11,19H2,1H3
InChIKeyBEHSFTQFWDKAGR-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-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114853577
2-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutanoic acid
CID 102616919
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
3-amino-1-(2-chloro-5-fluorophenyl)-3-phenylbutan-2-one
CID 102622094
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
1-chloro-2-[2-(chloromethyl)-2-ethylbutyl]-4-fluorobenzene
CID 102621280
3-amino-1-(2-chloro-5-fluorophenyl)-3-methylbutan-2-one
CID 96600920

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine (CID 102617543) is 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine is CC(N)(Cc1ccccc1)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine?
The InChIKey is BEHSFTQFWDKAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-16(19,10-12-5-3-2-4-6-12)11-13-9-14(18)7-8-15(13)17/h2-9H,10-11,19H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine?
1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-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-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine is sourced from PubChem (CID 102617543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).