2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine

C14H20FNO — CID 83154390

IUPAC2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1F)C(C)C1CC1
InChIInChI=1S/C14H20FNO/c1-9(10-4-5-10)14(16-2)12-7-6-11(17-3)8-13(12)15/h6-10,14,16H,4-5H2,1-3H3
InChIKeyIIBJAACUOOZPBU-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.14
Rot. Bonds5

About 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine

2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 83154390) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID83154390
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1F)C(C)C1CC1
InChIInChI=1S/C14H20FNO/c1-9(10-4-5-10)14(16-2)12-7-6-11(17-3)8-13(12)15/h6-10,14,16H,4-5H2,1-3H3
InChIKeyIIBJAACUOOZPBU-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)propyl]hydrazine
CID 103397832
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 103395598
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154592
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105011902
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 83155274
4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 98264241
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine (CID 83154390) is 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine is CNC(c1ccc(OC)cc1F)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is IIBJAACUOOZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(10-4-5-10)14(16-2)12-7-6-11(17-3)8-13(12)15/h6-10,14,16H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine?
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 83154390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).