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

C17H18FNO — CID 61032671

IUPACN-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2cccc(CNC3CC3)c2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-20-15-7-8-16(17(18)10-15)13-4-2-3-12(9-13)11-19-14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyOROTZTGZBRQZAE-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.75
Rot. Bonds5

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

N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 61032671) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
PubChem CID61032671
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2cccc(CNC3CC3)c2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-20-15-7-8-16(17(18)10-15)13-4-2-3-12(9-13)11-19-14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyOROTZTGZBRQZAE-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 102885629
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 81304184
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine (CID 61032671) is N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine is COc1ccc(-c2cccc(CNC3CC3)c2)c(F)c1.
What is the InChIKey of N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is OROTZTGZBRQZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-15-7-8-16(17(18)10-15)13-4-2-3-12(9-13)11-19-14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3.
What are the key properties of N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine?
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 271.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61032671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).