N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine

C18H27F2N — CID 105408236

IUPACN-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine
SMILESCCCCC(CC)(CNC1CC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-3-5-8-18(4-2,13-21-17-6-7-17)12-14-9-15(19)11-16(20)10-14/h9-11,17,21H,3-8,12-13H2,1-2H3
InChIKeyQAPHHQAVNYZBBE-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.85
Rot. Bonds9

About N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine

N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine (PubChem CID 105408236) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine
PubChem CID105408236
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine
SMILESCCCCC(CC)(CNC1CC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-3-5-8-18(4-2,13-21-17-6-7-17)12-14-9-15(19)11-16(20)10-14/h9-11,17,21H,3-8,12-13H2,1-2H3
InChIKeyQAPHHQAVNYZBBE-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine
CID 63509649
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethyl-N-propylhexan-1-amine
CID 79697364
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
CID 63509306
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 105408247
1-[2-(bromomethyl)-2-ethylhexyl]-3-fluorobenzene
CID 66050230
N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine
CID 83107512
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 106271457
N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 63494831
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine?
The IUPAC name of N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine (CID 105408236) is N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine is CCCCC(CC)(CNC1CC1)Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine?
The InChIKey is QAPHHQAVNYZBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-3-5-8-18(4-2,13-21-17-6-7-17)12-14-9-15(19)11-16(20)10-14/h9-11,17,21H,3-8,12-13H2,1-2H3.
What are the key properties of N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine?
N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine has a molecular weight of 295.42 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine is sourced from PubChem (CID 105408236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).