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

C16H15ClFNO — CID 43282911

IUPACN-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccccc1Oc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H15ClFNO/c17-13-4-3-7-15(12(13)10-19-11-8-9-11)20-16-6-2-1-5-14(16)18/h1-7,11,19H,8-10H2
InChIKeyHNEZPKNVQDXMFJ-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.52
Rot. Bonds5

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

N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43282911) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43282911
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccccc1Oc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H15ClFNO/c17-13-4-3-7-15(12(13)10-19-11-8-9-11)20-16-6-2-1-5-14(16)18/h1-7,11,19H,8-10H2
InChIKeyHNEZPKNVQDXMFJ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 63269312
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-(4-bromo-3-fluorophenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 65201184
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 63552228
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine (CID 43282911) is N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine is Fc1ccccc1Oc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is HNEZPKNVQDXMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-13-4-3-7-15(12(13)10-19-11-8-9-11)20-16-6-2-1-5-14(16)18/h1-7,11,19H,8-10H2.
What are the key properties of N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 291.75 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43282911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).