1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine

C15H22FNO — CID 116722529

IUPAC1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
SMILESCCNC(Cc1cccc(F)c1)C(OC)C1CC1
InChIInChI=1S/C15H22FNO/c1-3-17-14(15(18-2)12-7-8-12)10-11-5-4-6-13(16)9-11/h4-6,9,12,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyXRXGVRRERLIQEX-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.77
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine

1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine (PubChem CID 116722529) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
PubChem CID116722529
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
SMILESCCNC(Cc1cccc(F)c1)C(OC)C1CC1
InChIInChI=1S/C15H22FNO/c1-3-17-14(15(18-2)12-7-8-12)10-11-5-4-6-13(16)9-11/h4-6,9,12,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyXRXGVRRERLIQEX-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
CID 116722394
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
CID 82987589
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine (CID 116722529) is 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine is CCNC(Cc1cccc(F)c1)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine?
The InChIKey is XRXGVRRERLIQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-14(15(18-2)12-7-8-12)10-11-5-4-6-13(16)9-11/h4-6,9,12,14-15,17H,3,7-8,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine?
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 116722529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).