1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine

C15H22FNO2 — CID 156715104

IUPAC1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine
SMILESCOCOCc1ccc(C(C)(N)CC2CC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-15(17,8-11-3-4-11)13-6-5-12(14(16)7-13)9-19-10-18-2/h5-7,11H,3-4,8-10,17H2,1-2H3
InChIKeyPQEDILJFWOZYEV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.92
Rot. Bonds7

About 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine

1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine (PubChem CID 156715104) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine
PubChem CID156715104
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine
SMILESCOCOCc1ccc(C(C)(N)CC2CC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-15(17,8-11-3-4-11)13-6-5-12(14(16)7-13)9-19-10-18-2/h5-7,11H,3-4,8-10,17H2,1-2H3
InChIKeyPQEDILJFWOZYEV-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(Methoxymethyl)phenyl]propan-2-amine
CID 117278172
1-[3-Fluoro-4-(methoxymethyl)phenyl]butan-1-amine
CID 17934463
(1R)-1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine
CID 57658921
1-[3-Fluoro-4-(methoxymethyl)phenyl]ethanamine
CID 68724116
(1S)-1-[3-fluoro-4-(methoxymethyl)phenyl]butan-1-amine
CID 69448650
(1S)-1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine
CID 90451775
1-[4-(1-Ethoxycyclopropyl)-2-fluorophenyl]ethanamine
CID 130285879
1-[4-(1,3-Dioxolan-2-yl)-3-fluorophenyl]-3-methylbutan-2-amine
CID 138672915
(1S)-3-cyclopropyl-1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-1-amine
CID 156226499
(1S)-2-cyclopropyl-1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]ethanamine
CID 156226504
(1S)-2-cyclopropyl-1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanamine
CID 156715122
1-[4-(1,3-Dioxol-2-yl)-3-fluorophenyl]-3-methylbutan-2-amine
CID 156768350

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine (CID 156715104) is 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine is COCOCc1ccc(C(C)(N)CC2CC2)cc1F.
What is the InChIKey of 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine?
The InChIKey is PQEDILJFWOZYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(17,8-11-3-4-11)13-6-5-12(14(16)7-13)9-19-10-18-2/h5-7,11H,3-4,8-10,17H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine?
1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-fluoro-4-(methoxymethoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 156715104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).