N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine

C13H17ClFNO — CID 114319278

IUPACN-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
SMILESFCCCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C13H17ClFNO/c14-12-3-1-4-13(17-8-2-7-15)11(12)9-16-10-5-6-10/h1,3-4,10,16H,2,5-9H2
InChIKeyWUFVSJFSORFJEY-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.33
Rot. Bonds7

About N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114319278) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
PubChem CID114319278
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
SMILESFCCCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C13H17ClFNO/c14-12-3-1-4-13(17-8-2-7-15)11(12)9-16-10-5-6-10/h1,3-4,10,16H,2,5-9H2
InChIKeyWUFVSJFSORFJEY-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.33
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

5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine (CID 114319278) is N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine is FCCCOc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is WUFVSJFSORFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-12-3-1-4-13(17-8-2-7-15)11(12)9-16-10-5-6-10/h1,3-4,10,16H,2,5-9H2.
What are the key properties of N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 257.74 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114319278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).