N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine

C12H17F2N — CID 116992438

IUPACN-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(C(C)(F)F)c1
InChIInChI=1S/C12H17F2N/c1-9(2)15-8-10-5-4-6-11(7-10)12(3,13)14/h4-7,9,15H,8H2,1-3H3
InChIKeyUTJJPVLDTQTDCB-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.30
Rot. Bonds4

About N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine

N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine (PubChem CID 116992438) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
PubChem CID116992438
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC NameN-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(C(C)(F)F)c1
InChIInChI=1S/C12H17F2N/c1-9(2)15-8-10-5-4-6-11(7-10)12(3,13)14/h4-7,9,15H,8H2,1-3H3
InChIKeyUTJJPVLDTQTDCB-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985
1-ethylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 115626116
N-[3-[[3-(1,1-difluoroethyl)phenyl]methylamino]propyl]formamide
CID 143752615
1-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 27042254
2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 66037251
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-[[3-(2-methylbutan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 62456237
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
3-[3-(1,1-difluoroethyl)phenyl]-N-methylpropan-1-amine
CID 116992431

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine (CID 116992438) is N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(C(C)(F)F)c1.
What is the InChIKey of N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine?
The InChIKey is UTJJPVLDTQTDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-9(2)15-8-10-5-4-6-11(7-10)12(3,13)14/h4-7,9,15H,8H2,1-3H3.
What are the key properties of N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine?
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 116992438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).