1-(2,3-difluorophenyl)-N-propylpropan-2-amine

C12H17F2N — CID 62601742

IUPAC1-(2,3-difluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-3-7-15-9(2)8-10-5-4-6-11(13)12(10)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyMAJAJJQNFGKOMP-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.90
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-propylpropan-2-amine

1-(2,3-difluorophenyl)-N-propylpropan-2-amine (PubChem CID 62601742) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-propylpropan-2-amine
PubChem CID62601742
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,3-difluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-3-7-15-9(2)8-10-5-4-6-11(13)12(10)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyMAJAJJQNFGKOMP-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,3-difluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 64718771
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-propylpropan-2-amine (CID 62601742) is 1-(2,3-difluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-propylpropan-2-amine is CCCNC(C)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-propylpropan-2-amine?
The InChIKey is MAJAJJQNFGKOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-7-15-9(2)8-10-5-4-6-11(13)12(10)14/h4-6,9,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-propylpropan-2-amine?
1-(2,3-difluorophenyl)-N-propylpropan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 62601742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).