N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine

C16H24FNO — CID 106204997

IUPACN-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-12(2)18-11-16(19-9-8-13-6-7-13)14-4-3-5-15(17)10-14/h3-5,10,12-13,16,18H,6-9,11H2,1-2H3
InChIKeyAGPLXXTZGPZGJC-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.68
Rot. Bonds8

About N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine

N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine (PubChem CID 106204997) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
PubChem CID106204997
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-12(2)18-11-16(19-9-8-13-6-7-13)14-4-3-5-15(17)10-14/h3-5,10,12-13,16,18H,6-9,11H2,1-2H3
InChIKeyAGPLXXTZGPZGJC-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 106204917
N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 62110751
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
CID 106205093
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
CID 62106068

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine (CID 106204997) is N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine is CC(C)NCC(OCCC1CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is AGPLXXTZGPZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(2)18-11-16(19-9-8-13-6-7-13)14-4-3-5-15(17)10-14/h3-5,10,12-13,16,18H,6-9,11H2,1-2H3.
What are the key properties of N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine?
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 265.37 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 106204997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).