N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine

C17H19ClN2O — CID 105075531

IUPACN-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cnccc2CNC2CC2)cc(C)c1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-7-15(8-12(2)17(11)18)21-16-10-19-6-5-13(16)9-20-14-3-4-14/h5-8,10,14,20H,3-4,9H2,1-2H3
InChIKeyPQCJHJCYNBWIAL-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

About N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105075531) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105075531
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cnccc2CNC2CC2)cc(C)c1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-7-15(8-12(2)17(11)18)21-16-10-19-6-5-13(16)9-20-14-3-4-14/h5-8,10,14,20H,3-4,9H2,1-2H3
InChIKeyPQCJHJCYNBWIAL-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967
N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075129
N-[[6-(4-chloro-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62322068
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255002
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-[[3-[2-(dimethylamino)-2-methylpropoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 105075823
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine
CID 105067653
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 105075531) is N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is Cc1cc(Oc2cnccc2CNC2CC2)cc(C)c1Cl.
What is the InChIKey of N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is PQCJHJCYNBWIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-7-15(8-12(2)17(11)18)21-16-10-19-6-5-13(16)9-20-14-3-4-14/h5-8,10,14,20H,3-4,9H2,1-2H3.
What are the key properties of N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 302.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105075531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).