N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

C15H22FN — CID 61064174

IUPACN-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)C1CC1C
InChIInChI=1S/C15H22FN/c1-3-7-17-15(14-8-11(14)2)10-12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyCJGPTNCDHNVYGG-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (PubChem CID 61064174) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
PubChem CID61064174
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)C1CC1C
InChIInChI=1S/C15H22FN/c1-3-7-17-15(14-8-11(14)2)10-12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyCJGPTNCDHNVYGG-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 55083879
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61065705
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 65421078
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (CID 61064174) is N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1)C1CC1C.
What is the InChIKey of N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is CJGPTNCDHNVYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-7-17-15(14-8-11(14)2)10-12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 61064174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).