1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine

C13H19F2N — CID 103759808

IUPAC1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)C(F)F
InChIInChI=1S/C13H19F2N/c1-3-8-16-12(13(14)15)9-11-6-4-10(2)5-7-11/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyYDKQZMYCVABPQD-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.17
Rot. Bonds6

About 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine

1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine (PubChem CID 103759808) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
PubChem CID103759808
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1)C(F)F
InChIInChI=1S/C13H19F2N/c1-3-8-16-12(13(14)15)9-11-6-4-10(2)5-7-11/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyYDKQZMYCVABPQD-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
CID 82987030
3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103759735
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine
CID 79191073
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine (CID 103759808) is 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(C)cc1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine?
The InChIKey is YDKQZMYCVABPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-8-16-12(13(14)15)9-11-6-4-10(2)5-7-11/h4-7,12-13,16H,3,8-9H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine?
1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 103759808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).