N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

C17H19ClN2O — CID 62296568

IUPACN-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ccc(Cl)c(CNC3CC3)n2)c(C)c1
InChIInChI=1S/C17H19ClN2O/c1-11-3-7-16(12(2)9-11)21-17-8-6-14(18)15(20-17)10-19-13-4-5-13/h3,6-9,13,19H,4-5,10H2,1-2H3
InChIKeyRBJYNXDSNNEDJR-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

About N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62296568) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62296568
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ccc(Cl)c(CNC3CC3)n2)c(C)c1
InChIInChI=1S/C17H19ClN2O/c1-11-3-7-16(12(2)9-11)21-17-8-6-14(18)15(20-17)10-19-13-4-5-13/h3,6-9,13,19H,4-5,10H2,1-2H3
InChIKeyRBJYNXDSNNEDJR-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

Analyze N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 64854297
N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102985257
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[3-chloro-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82006269
N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 63487989
N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62453998
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297563
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62296568) is N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Oc2ccc(Cl)c(CNC3CC3)n2)c(C)c1.
What is the InChIKey of N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is RBJYNXDSNNEDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-3-7-16(12(2)9-11)21-17-8-6-14(18)15(20-17)10-19-13-4-5-13/h3,6-9,13,19H,4-5,10H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-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-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62296568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).