N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine

C16H16FNO — CID 43283191

IUPACN-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1Oc1ccccc1
InChIInChI=1S/C16H16FNO/c17-15-10-12(11-18-13-7-8-13)6-9-16(15)19-14-4-2-1-3-5-14/h1-6,9-10,13,18H,7-8,11H2
InChIKeyQXOYOANNHNJHBA-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.87
Rot. Bonds5

About N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine

N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine (PubChem CID 43283191) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
PubChem CID43283191
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1Oc1ccccc1
InChIInChI=1S/C16H16FNO/c17-15-10-12(11-18-13-7-8-13)6-9-16(15)19-14-4-2-1-3-5-14/h1-6,9-10,13,18H,7-8,11H2
InChIKeyQXOYOANNHNJHBA-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 62072927
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine (CID 43283191) is N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine is Fc1cc(CNC2CC2)ccc1Oc1ccccc1.
What is the InChIKey of N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine?
The InChIKey is QXOYOANNHNJHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-10-12(11-18-13-7-8-13)6-9-16(15)19-14-4-2-1-3-5-14/h1-6,9-10,13,18H,7-8,11H2.
What are the key properties of N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine?
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine has a molecular weight of 257.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43283191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).