N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine

C16H23F2N — CID 107001925

IUPACN-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)C1CC1(C)C
InChIInChI=1S/C16H23F2N/c1-4-7-19-15(12-10-16(12,2)3)9-11-5-6-13(17)14(18)8-11/h5-6,8,12,15,19H,4,7,9-10H2,1-3H3
InChIKeyHSYWTIPXTDDNCA-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine

N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine (PubChem CID 107001925) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
PubChem CID107001925
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)C1CC1(C)C
InChIInChI=1S/C16H23F2N/c1-4-7-19-15(12-10-16(12,2)3)9-11-5-6-13(17)14(18)8-11/h5-6,8,12,15,19H,4,7,9-10H2,1-3H3
InChIKeyHSYWTIPXTDDNCA-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
CID 107003154
N-[2-(3,4-difluorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 82923269
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(3,4-difluorophenyl)-N-propylbut-3-yn-2-amine
CID 104995812
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995
2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052994
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
N-[2-(3-bromo-4-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415531
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine (CID 107001925) is N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)c(F)c1)C1CC1(C)C.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is HSYWTIPXTDDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-4-7-19-15(12-10-16(12,2)3)9-11-5-6-13(17)14(18)8-11/h5-6,8,12,15,19H,4,7,9-10H2,1-3H3.
What are the key properties of N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 107001925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).