N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine

C17H17F2NO — CID 82792350

IUPACN-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ccc(CNC3CC3)cc2F)c1F
InChIInChI=1S/C17H17F2NO/c1-21-16-4-2-3-14(17(16)19)13-8-5-11(9-15(13)18)10-20-12-6-7-12/h2-5,8-9,12,20H,6-7,10H2,1H3
InChIKeyXTWVSCKGBGAQAZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.89
Rot. Bonds5

About N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 82792350) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
PubChem CID82792350
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2ccc(CNC3CC3)cc2F)c1F
InChIInChI=1S/C17H17F2NO/c1-21-16-4-2-3-14(17(16)19)13-8-5-11(9-15(13)18)10-20-12-6-7-12/h2-5,8-9,12,20H,6-7,10H2,1H3
InChIKeyXTWVSCKGBGAQAZ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
CID 115502872
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 114746570
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine (CID 82792350) is N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine is COc1cccc(-c2ccc(CNC3CC3)cc2F)c1F.
What is the InChIKey of N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is XTWVSCKGBGAQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-21-16-4-2-3-14(17(16)19)13-8-5-11(9-15(13)18)10-20-12-6-7-12/h2-5,8-9,12,20H,6-7,10H2,1H3.
What are the key properties of N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 289.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 82792350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).