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

C19H22FN — CID 116545362

IUPACN-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2ccc(CNC3CC3)cc2F)c1
InChIInChI=1S/C19H22FN/c1-2-4-14-5-3-6-16(11-14)18-10-7-15(12-19(18)20)13-21-17-8-9-17/h3,5-7,10-12,17,21H,2,4,8-9,13H2,1H3
InChIKeyWWLAWIVLLNJMIH-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.70
Rot. Bonds6

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

N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 116545362) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID116545362
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
SMILESCCCc1cccc(-c2ccc(CNC3CC3)cc2F)c1
InChIInChI=1S/C19H22FN/c1-2-4-14-5-3-6-16(11-14)18-10-7-15(12-19(18)20)13-21-17-8-9-17/h3,5-7,10-12,17,21H,2,4,8-9,13H2,1H3
InChIKeyWWLAWIVLLNJMIH-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
CID 115502872
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545345
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine (CID 116545362) is N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine is CCCc1cccc(-c2ccc(CNC3CC3)cc2F)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is WWLAWIVLLNJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-2-4-14-5-3-6-16(11-14)18-10-7-15(12-19(18)20)13-21-17-8-9-17/h3,5-7,10-12,17,21H,2,4,8-9,13H2,1H3.
What are the key properties of N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 283.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 116545362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).