2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine

C11H16FN — CID 112565200

IUPAC2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
SMILESCc1cc(C)cc(C(C)(F)CN)c1
InChIInChI=1S/C11H16FN/c1-8-4-9(2)6-10(5-8)11(3,12)7-13/h4-6H,7,13H2,1-3H3
InChIKeyTVEARLDGQHGWKA-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.45
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine

2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine (PubChem CID 112565200) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
PubChem CID112565200
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
SMILESCc1cc(C)cc(C(C)(F)CN)c1
InChIInChI=1S/C11H16FN/c1-8-4-9(2)6-10(5-8)11(3,12)7-13/h4-6H,7,13H2,1-3H3
InChIKeyTVEARLDGQHGWKA-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 63083089
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
CID 139607359
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
4-(1-amino-2-fluoropropan-2-yl)benzene-1,2-diol
CID 105425989
1-amino-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704426
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
2-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 58543608
(3,5-dimethylphenyl)methanetriamine
CID 143122462
2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine
CID 83699417
1-bromo-2-(3,5-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 107140313
2-(2,3-dihydro-1-benzofuran-6-yl)-2-fluoropropan-1-amine
CID 105426382
1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine
CID 82239846

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine (CID 112565200) is 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine is Cc1cc(C)cc(C(C)(F)CN)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine?
The InChIKey is TVEARLDGQHGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-4-9(2)6-10(5-8)11(3,12)7-13/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine?
2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine is sourced from PubChem (CID 112565200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).