N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine

C15H22FNO — CID 62106947

IUPACN-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
SMILESCCCCOC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-2-3-10-18-15(11-17-14-8-9-14)12-4-6-13(16)7-5-12/h4-7,14-15,17H,2-3,8-11H2,1H3
InChIKeyOWIQVKHXPSULDP-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.44
Rot. Bonds8

About N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine

N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine (PubChem CID 62106947) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
PubChem CID62106947
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
SMILESCCCCOC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-2-3-10-18-15(11-17-14-8-9-14)12-4-6-13(16)7-5-12/h4-7,14-15,17H,2-3,8-11H2,1H3
InChIKeyOWIQVKHXPSULDP-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.44
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-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 66227133
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 82005990
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276
N-[2-phenyl-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82959482
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047

Frequently Asked Questions

What is the IUPAC name of N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine (CID 62106947) is N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine is CCCCOC(CNC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine?
The InChIKey is OWIQVKHXPSULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-3-10-18-15(11-17-14-8-9-14)12-4-6-13(16)7-5-12/h4-7,14-15,17H,2-3,8-11H2,1H3.
What are the key properties of N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine?
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine has a molecular weight of 251.34 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 62106947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).