3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine

C13H19F2N — CID 116838654

IUPAC3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(F)(F)CCNC)cc1
InChIInChI=1S/C13H19F2N/c1-3-4-11-5-7-12(8-6-11)13(14,15)9-10-16-2/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyLUAMGAZRBNMMPD-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.34
Rot. Bonds6

About 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine

3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine (PubChem CID 116838654) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
PubChem CID116838654
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(F)(F)CCNC)cc1
InChIInChI=1S/C13H19F2N/c1-3-4-11-5-7-12(8-6-11)13(14,15)9-10-16-2/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyLUAMGAZRBNMMPD-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
CID 116991893
3-(4-ethylsulfanylphenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 116838713
3,3-difluoro-N-methyl-3-(4-methylsulfanylphenyl)propan-1-amine
CID 116838711
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
3-[4-(1,1-difluoro-3-methylbutyl)phenyl]-N-methylpropan-1-amine
CID 116992242
1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine
CID 66205585
1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
CID 139623961
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine (CID 116838654) is 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine is CCCc1ccc(C(F)(F)CCNC)cc1.
What is the InChIKey of 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine?
The InChIKey is LUAMGAZRBNMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-4-11-5-7-12(8-6-11)13(14,15)9-10-16-2/h5-8,16H,3-4,9-10H2,1-2H3.
What are the key properties of 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine?
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 116838654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).