N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine

C15H22FNO — CID 62106068

IUPACN-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
SMILESCC(C)(C)OC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-15(2,3)18-14(10-17-13-7-8-13)11-5-4-6-12(16)9-11/h4-6,9,13-14,17H,7-8,10H2,1-3H3
InChIKeyPHAWBCDQNRPZHI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine

N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine (PubChem CID 62106068) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
PubChem CID62106068
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
SMILESCC(C)(C)OC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-15(2,3)18-14(10-17-13-7-8-13)11-5-4-6-12(16)9-11/h4-6,9,13-14,17H,7-8,10H2,1-3H3
InChIKeyPHAWBCDQNRPZHI-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
CID 102984848
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
CID 62458340
2-cyclobutyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62383123
2-cycloheptyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62109055
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736
1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 106000348
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997
2-(2-cyclopropylethoxy)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 106204917
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine (CID 62106068) is N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine is CC(C)(C)OC(CNC1CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine?
The InChIKey is PHAWBCDQNRPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,3)18-14(10-17-13-7-8-13)11-5-4-6-12(16)9-11/h4-6,9,13-14,17H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine?
N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine is sourced from PubChem (CID 62106068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).