2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C16H24FNO — CID 83159546

IUPAC2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H24FNO/c1-16(14-6-7-14,12-18-8-9-19-2)11-13-4-3-5-15(17)10-13/h3-5,10,14,18H,6-9,11-12H2,1-2H3
InChIKeyAXQZUNYIHRRXFX-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.02
Rot. Bonds8

About 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 83159546) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID83159546
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H24FNO/c1-16(14-6-7-14,12-18-8-9-19-2)11-13-4-3-5-15(17)10-13/h3-5,10,14,18H,6-9,11-12H2,1-2H3
InChIKeyAXQZUNYIHRRXFX-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
CID 83159271
2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159632
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159631
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83160271
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 83159546) is 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is AXQZUNYIHRRXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(14-6-7-14,12-18-8-9-19-2)11-13-4-3-5-15(17)10-13/h3-5,10,14,18H,6-9,11-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83159546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).