N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine

C14H19F2N — CID 62709115

IUPACN-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1(C)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2N/c1-9(2)17-8-10-7-14(10,3)12-6-11(15)4-5-13(12)16/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyHKMAYEDSBJLCMV-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.24
Rot. Bonds4

About N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine

N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine (PubChem CID 62709115) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine
PubChem CID62709115
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1(C)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2N/c1-9(2)17-8-10-7-14(10,3)12-6-11(15)4-5-13(12)16/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyHKMAYEDSBJLCMV-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 62704055
1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene
CID 81357701
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine
CID 114081541
N-[[2-(2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712798
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine (CID 62709115) is N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1(C)c1cc(F)ccc1F.
What is the InChIKey of N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The InChIKey is HKMAYEDSBJLCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9(2)17-8-10-7-14(10,3)12-6-11(15)4-5-13(12)16/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62709115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).