1-(3,5-difluorophenyl)-2-methylpropan-2-amine

C10H13F2N — CID 22063501

IUPAC1-(3,5-difluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2N/c1-10(2,13)6-7-3-8(11)5-9(12)4-7/h3-5H,6,13H2,1-2H3
InChIKeyDIABQKFBRQAJAW-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.24
Rot. Bonds2

About 1-(3,5-difluorophenyl)-2-methylpropan-2-amine

1-(3,5-difluorophenyl)-2-methylpropan-2-amine (PubChem CID 22063501) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-methylpropan-2-amine
PubChem CID22063501
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name1-(3,5-difluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2N/c1-10(2,13)6-7-3-8(11)5-9(12)4-7/h3-5H,6,13H2,1-2H3
InChIKeyDIABQKFBRQAJAW-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 83808870
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
CID 105411138
1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 84807348
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 105402991
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 105403015
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
3-amino-2-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 105411814
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-methylpropan-2-amine (CID 22063501) is 1-(3,5-difluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-methylpropan-2-amine?
The InChIKey is DIABQKFBRQAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-10(2,13)6-7-3-8(11)5-9(12)4-7/h3-5H,6,13H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-methylpropan-2-amine?
1-(3,5-difluorophenyl)-2-methylpropan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 22063501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).