3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine

C11H15F2N — CID 130604689

IUPAC3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(C(F)C(C)CN)cc1F
InChIInChI=1S/C11H15F2N/c1-7-3-4-9(5-10(7)12)11(13)8(2)6-14/h3-5,8,11H,6,14H2,1-2H3
InChIKeyYXVNLURSMQFLRJ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.74
Rot. Bonds3

About 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine

3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine (PubChem CID 130604689) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine
PubChem CID130604689
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(C(F)C(C)CN)cc1F
InChIInChI=1S/C11H15F2N/c1-7-3-4-9(5-10(7)12)11(13)8(2)6-14/h3-5,8,11H,6,14H2,1-2H3
InChIKeyYXVNLURSMQFLRJ-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453998
3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 130604698
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170020811
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
3-(3-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453999
1-(3-fluoro-4-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697233
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
2-[(3-chloro-4-methylphenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107561213

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine (CID 130604689) is 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine is Cc1ccc(C(F)C(C)CN)cc1F.
What is the InChIKey of 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is YXVNLURSMQFLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7-3-4-9(5-10(7)12)11(13)8(2)6-14/h3-5,8,11H,6,14H2,1-2H3.
What are the key properties of 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine?
3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130604689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).