N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

C15H15ClFN3O — CID 83186830

IUPACN-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(Oc2ccc(Cl)c(F)c2)ncc1CNC1CC1
InChIInChI=1S/C15H15ClFN3O/c1-9-10(7-18-11-2-3-11)8-19-15(20-9)21-12-4-5-13(16)14(17)6-12/h4-6,8,11,18H,2-3,7H2,1H3
InChIKeyLJAIAVBCKALZPO-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.62
Rot. Bonds5

About N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83186830) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83186830
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC NameN-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(Oc2ccc(Cl)c(F)c2)ncc1CNC1CC1
InChIInChI=1S/C15H15ClFN3O/c1-9-10(7-18-11-2-3-11)8-19-15(20-9)21-12-4-5-13(16)14(17)6-12/h4-6,8,11,18H,2-3,7H2,1H3
InChIKeyLJAIAVBCKALZPO-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186831
N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187374
N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187779
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184428
N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
N-[[4-[(4-chloro-3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 82718836
N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187804
N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
N-[[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188621
N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187646
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83186830) is N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(Oc2ccc(Cl)c(F)c2)ncc1CNC1CC1.
What is the InChIKey of N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is LJAIAVBCKALZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-9-10(7-18-11-2-3-11)8-19-15(20-9)21-12-4-5-13(16)14(17)6-12/h4-6,8,11,18H,2-3,7H2,1H3.
What are the key properties of N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 307.76 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83186830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).