2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine

C12H18FN — CID 105449360

IUPAC2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(C)(F)Cc1cccc(C)c1
InChIInChI=1S/C12H18FN/c1-10-5-4-6-11(7-10)8-12(2,13)9-14-3/h4-7,14H,8-9H2,1-3H3
InChIKeyWEJFDFHLWOQRKM-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.49
Rot. Bonds4

About 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine

2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 105449360) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
PubChem CID105449360
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(C)(F)Cc1cccc(C)c1
InChIInChI=1S/C12H18FN/c1-10-5-4-6-11(7-10)8-12(2,13)9-14-3/h4-7,14H,8-9H2,1-3H3
InChIKeyWEJFDFHLWOQRKM-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2,2,3,3-tetrafluorobutyl)benzene
CID 159642722
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
1-(3,3-difluorobutyl)-3-methylbenzene
CID 169204430
1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
CID 122240116
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
1,1,2-tris(3-methylphenyl)ethylphosphane
CID 155600016
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride
CID 115045366
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine (CID 105449360) is 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine is CNCC(C)(F)Cc1cccc(C)c1.
What is the InChIKey of 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is WEJFDFHLWOQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-10-5-4-6-11(7-10)8-12(2,13)9-14-3/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine?
2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105449360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).