2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine

C15H22FNO — CID 104819419

IUPAC2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FNO/c1-18-9-8-17-11-14(13-4-5-13)10-12-2-6-15(16)7-3-12/h2-3,6-7,13-14,17H,4-5,8-11H2,1H3
InChIKeyIXVCCXJTKFPXAT-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.63
Rot. Bonds8

About 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine

2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 104819419) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID104819419
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FNO/c1-18-9-8-17-11-14(13-4-5-13)10-12-2-6-15(16)7-3-12/h2-3,6-7,13-14,17H,4-5,8-11H2,1H3
InChIKeyIXVCCXJTKFPXAT-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 113456650
3-(3-chloro-4-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 103041197
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 115926904
2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569093
2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112570182
2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 112570185
2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053577

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine (CID 104819419) is 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is IXVCCXJTKFPXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-18-9-8-17-11-14(13-4-5-13)10-12-2-6-15(16)7-3-12/h2-3,6-7,13-14,17H,4-5,8-11H2,1H3.
What are the key properties of 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 104819419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).