N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine

C16H24FNO — CID 102984848

IUPACN-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
SMILESCCCC(C)OC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-3-5-12(2)19-16(11-18-15-8-9-15)13-6-4-7-14(17)10-13/h4,6-7,10,12,15-16,18H,3,5,8-9,11H2,1-2H3
InChIKeyBLRZYUDIOVXNDB-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.82
Rot. Bonds8

About N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine

N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine (PubChem CID 102984848) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
PubChem CID102984848
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
SMILESCCCC(C)OC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-3-5-12(2)19-16(11-18-15-8-9-15)13-6-4-7-14(17)10-13/h4,6-7,10,12,15-16,18H,3,5,8-9,11H2,1-2H3
InChIKeyBLRZYUDIOVXNDB-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
CID 62106068
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
CID 62458340
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
2-(3-fluorophenyl)-2-octan-2-yloxyethanamine
CID 55020696
N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine (CID 102984848) is N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine is CCCC(C)OC(CNC1CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine?
The InChIKey is BLRZYUDIOVXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-5-12(2)19-16(11-18-15-8-9-15)13-6-4-7-14(17)10-13/h4,6-7,10,12,15-16,18H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine?
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine has a molecular weight of 265.37 g/mol, XLogP of 3.82, 8 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-pentan-2-yloxyethyl]cyclopropanamine is sourced from PubChem (CID 102984848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).