N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine

C16H24FNO — CID 62516255

IUPACN-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
SMILESCCOCCC(CNC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-19-10-9-14(12-18-16-7-8-16)11-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyLYQFMCLYGGIHNY-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.16
Rot. Bonds9

About N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine

N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine (PubChem CID 62516255) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
PubChem CID62516255
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
SMILESCCOCCC(CNC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-19-10-9-14(12-18-16-7-8-16)11-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyLYQFMCLYGGIHNY-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
CID 65180744
N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
CID 62528732
N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62514332
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
1-(2-chloro-4-ethoxybutyl)-4-fluorobenzene
CID 63015899
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515043
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine (CID 62516255) is N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine is CCOCCC(CNC1CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine?
The InChIKey is LYQFMCLYGGIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-19-10-9-14(12-18-16-7-8-16)11-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine?
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine has a molecular weight of 265.37 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 62516255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).