N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine

C15H22FNO2 — CID 62107517

IUPACN-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
SMILESCOCCCOC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-18-9-2-10-19-15(11-17-14-7-8-14)12-3-5-13(16)6-4-12/h3-6,14-15,17H,2,7-11H2,1H3
InChIKeyKFKAQDQMTNXGNK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.67
Rot. Bonds9

About N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine

N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine (PubChem CID 62107517) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
PubChem CID62107517
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
SMILESCOCCCOC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-18-9-2-10-19-15(11-17-14-7-8-14)12-3-5-13(16)6-4-12/h3-6,14-15,17H,2,7-11H2,1H3
InChIKeyKFKAQDQMTNXGNK-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 66227133
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 82005990
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine (CID 62107517) is N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine is COCCCOC(CNC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
The InChIKey is KFKAQDQMTNXGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-9-2-10-19-15(11-17-14-7-8-14)12-3-5-13(16)6-4-12/h3-6,14-15,17H,2,7-11H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine has a molecular weight of 267.34 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62107517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).