N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C17H19ClN2O — CID 81255002

IUPACN-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCc1cc(Oc2ccncc2CNC2CC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-2-12-9-15(5-6-16(12)18)21-17-7-8-19-10-13(17)11-20-14-3-4-14/h5-10,14,20H,2-4,11H2,1H3
InChIKeyFMLIIGQOULOYDB-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81255002) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81255002
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCc1cc(Oc2ccncc2CNC2CC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-2-12-9-15(5-6-16(12)18)21-17-7-8-19-10-13(17)11-20-14-3-4-14/h5-10,14,20H,2-4,11H2,1H3
InChIKeyFMLIIGQOULOYDB-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250512
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 81250615
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 81255002) is N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is CCc1cc(Oc2ccncc2CNC2CC2)ccc1Cl.
What is the InChIKey of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is FMLIIGQOULOYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-12-9-15(5-6-16(12)18)21-17-7-8-19-10-13(17)11-20-14-3-4-14/h5-10,14,20H,2-4,11H2,1H3.
What are the key properties of N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 302.81 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81255002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).