N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine

C15H22FNO2 — CID 107696508

IUPACN-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCCOc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H22FNO2/c1-18-8-2-3-9-19-15-7-4-13(16)10-12(15)11-17-14-5-6-14/h4,7,10,14,17H,2-3,5-6,8-9,11H2,1H3
InChIKeyUOJJTZJDLWDNIB-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds9

About N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine

N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine (PubChem CID 107696508) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
PubChem CID107696508
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCCOc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H22FNO2/c1-18-8-2-3-9-19-15-7-4-13(16)10-12(15)11-17-14-5-6-14/h4,7,10,14,17H,2-3,5-6,8-9,11H2,1H3
InChIKeyUOJJTZJDLWDNIB-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
CID 107696379
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107696269
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
4-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107696474
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine (CID 107696508) is N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine is COCCCCOc1ccc(F)cc1CNC1CC1.
What is the InChIKey of N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is UOJJTZJDLWDNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-8-2-3-9-19-15-7-4-13(16)10-12(15)11-17-14-5-6-14/h4,7,10,14,17H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 267.34 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107696508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).