N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine

C13H17F2N — CID 62708395

IUPACN-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-8(2)16-7-9-5-12(9)11-4-3-10(14)6-13(11)15/h3-4,6,8-9,12,16H,5,7H2,1-2H3
InChIKeyDCSCFQVOMWHTLD-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.07
Rot. Bonds4

About N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine

N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 62708395) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID62708395
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-8(2)16-7-9-5-12(9)11-4-3-10(14)6-13(11)15/h3-4,6,8-9,12,16H,5,7H2,1-2H3
InChIKeyDCSCFQVOMWHTLD-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62712077
N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365830
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62708173
N-[[2-(2,4-dichlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708576
[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]methanamine
CID 94556815
1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
CID 146184894
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316
N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028770

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine (CID 62708395) is N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1c1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is DCSCFQVOMWHTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8(2)16-7-9-5-12(9)11-4-3-10(14)6-13(11)15/h3-4,6,8-9,12,16H,5,7H2,1-2H3.
What are the key properties of N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine?
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 225.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62708395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).