N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine

C13H19F2N — CID 107446735

IUPACN-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1ccc(F)cc1
InChIInChI=1S/C13H19F2N/c1-13(2,3)16-9-12(15)8-10-4-6-11(14)7-5-10/h4-7,12,16H,8-9H2,1-3H3
InChIKeyYTDJGLLXKNKRAR-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.09
Rot. Bonds4

About N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine (PubChem CID 107446735) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
PubChem CID107446735
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1ccc(F)cc1
InChIInChI=1S/C13H19F2N/c1-13(2,3)16-9-12(15)8-10-4-6-11(14)7-5-10/h4-7,12,16H,8-9H2,1-3H3
InChIKeyYTDJGLLXKNKRAR-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 107446774
N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 107446727
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
CID 65180744
(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol
CID 101494276
N'-tert-butyl-2-fluoropropane-1,3-diamine
CID 130349943
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139010
N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
CID 79438111
(2S)-2-fluoro-3-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfinic acid
CID 58692031
2-fluoro-3-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfinic acid
CID 58691941
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine (CID 107446735) is N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is YTDJGLLXKNKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-13(2,3)16-9-12(15)8-10-4-6-11(14)7-5-10/h4-7,12,16H,8-9H2,1-3H3.
What are the key properties of N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).