1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine

C12H17F2N — CID 102869472

IUPAC1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(CCNC(C)C(F)F)c1
InChIInChI=1S/C12H17F2N/c1-9-4-3-5-11(8-9)6-7-15-10(2)12(13)14/h3-5,8,10,12,15H,6-7H2,1-2H3
InChIKeyGEUNHMUTQCHHDS-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.78
Rot. Bonds5

About 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine

1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 102869472) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID102869472
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(CCNC(C)C(F)F)c1
InChIInChI=1S/C12H17F2N/c1-9-4-3-5-11(8-9)6-7-15-10(2)12(13)14/h3-5,8,10,12,15H,6-7H2,1-2H3
InChIKeyGEUNHMUTQCHHDS-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 113350740
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62314433
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
CID 77028641
1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 102869089

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine (CID 102869472) is 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine is Cc1cccc(CCNC(C)C(F)F)c1.
What is the InChIKey of 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is GEUNHMUTQCHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-9-4-3-5-11(8-9)6-7-15-10(2)12(13)14/h3-5,8,10,12,15H,6-7H2,1-2H3.
What are the key properties of 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 102869472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).