N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H17ClN2O — CID 62295657

IUPACN-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ncc(CNC3CC3)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-2-6-14(7-3-11)20-16-15(17)8-12(10-19-16)9-18-13-4-5-13/h2-3,6-8,10,13,18H,4-5,9H2,1H3
InChIKeyHVGRUVPQEVLXOG-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.09
Rot. Bonds5

About N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62295657) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62295657
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ncc(CNC3CC3)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-2-6-14(7-3-11)20-16-15(17)8-12(10-19-16)9-18-13-4-5-13/h2-3,6-8,10,13,18H,4-5,9H2,1H3
InChIKeyHVGRUVPQEVLXOG-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636342
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
N-[[6-(3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636921
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66275528
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62295657) is N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Oc2ncc(CNC3CC3)cc2Cl)cc1.
What is the InChIKey of N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HVGRUVPQEVLXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-2-6-14(7-3-11)20-16-15(17)8-12(10-19-16)9-18-13-4-5-13/h2-3,6-8,10,13,18H,4-5,9H2,1H3.
What are the key properties of N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.78 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62295657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).