N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine

C12H16F3N — CID 80605038

IUPACN-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine
SMILESCCNC(C)(c1ccc(C)c(F)c1)C(F)F
InChIInChI=1S/C12H16F3N/c1-4-16-12(3,11(14)15)9-6-5-8(2)10(13)7-9/h5-7,11,16H,4H2,1-3H3
InChIKeyTUCWOWYHFMGNFB-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.22
Rot. Bonds4

About N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine

N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine (PubChem CID 80605038) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine
PubChem CID80605038
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine
SMILESCCNC(C)(c1ccc(C)c(F)c1)C(F)F
InChIInChI=1S/C12H16F3N/c1-4-16-12(3,11(14)15)9-6-5-8(2)10(13)7-9/h5-7,11,16H,4H2,1-3H3
InChIKeyTUCWOWYHFMGNFB-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 80605045
2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 80604321
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
CID 107129477
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
N-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
3-fluoro-N-(2-fluorobutyl)-4-methylaniline
CID 130662936
N'-tert-butyl-N-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 107444586
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene
CID 20705742
4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline
CID 126491653

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine (CID 80605038) is N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine is CCNC(C)(c1ccc(C)c(F)c1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine?
The InChIKey is TUCWOWYHFMGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-4-16-12(3,11(14)15)9-6-5-8(2)10(13)7-9/h5-7,11,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine?
N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 80605038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).