N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine

C17H18FN — CID 54911691

IUPACN-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(-c2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18FN/c1-12-5-8-17(18)16(9-12)14-4-2-3-13(10-14)11-19-15-6-7-15/h2-5,8-10,15,19H,6-7,11H2,1H3
InChIKeyOJTYYVHPJWLHMK-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.05
Rot. Bonds4

About N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine

N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 54911691) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID54911691
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(-c2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C17H18FN/c1-12-5-8-17(18)16(9-12)14-4-2-3-13(10-14)11-19-15-6-7-15/h2-5,8-10,15,19H,6-7,11H2,1H3
InChIKeyOJTYYVHPJWLHMK-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 64856039
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106886738
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine (CID 54911691) is N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine is Cc1ccc(F)c(-c2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is OJTYYVHPJWLHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-5-8-17(18)16(9-12)14-4-2-3-13(10-14)11-19-15-6-7-15/h2-5,8-10,15,19H,6-7,11H2,1H3.
What are the key properties of N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine?
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 255.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 54911691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).