2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride

C13H19ClFNO — CID 141455419

IUPAC2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCCCCOc1ccc(C2CC2N)cc1F.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-2-3-6-16-13-5-4-9(7-11(13)14)10-8-12(10)15;/h4-5,7,10,12H,2-3,6,8,15H2,1H3;1H
InChIKeyDCSFJYBJLLPJCY-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride

2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 141455419) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID141455419
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCCCCOc1ccc(C2CC2N)cc1F.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-2-3-6-16-13-5-4-9(7-11(13)14)10-8-12(10)15;/h4-5,7,10,12H,2-3,6,8,15H2,1H3;1H
InChIKeyDCSFJYBJLLPJCY-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.24
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-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 141455426
2-(4-butoxyphenyl)cyclopropan-1-amine
CID 59628060
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
CID 88897774
CID 88897774
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
4-dodecoxy-3-fluoroaniline
CID 63404209
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
CID 140532848
CID 70331548
CID 70331548

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride (CID 141455419) is 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride is CCCCOc1ccc(C2CC2N)cc1F.Cl.
What is the InChIKey of 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is DCSFJYBJLLPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c1-2-3-6-16-13-5-4-9(7-11(13)14)10-8-12(10)15;/h4-5,7,10,12H,2-3,6,8,15H2,1H3;1H.
What are the key properties of 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride?
2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 141455419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).