N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine

C20H26N2O — CID 82453211

IUPACN-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1nc(-c2ccc(OCC(C)C)cc2)ccc1CNC1CC1
InChIInChI=1S/C20H26N2O/c1-14(2)13-23-19-9-4-16(5-10-19)20-11-6-17(15(3)22-20)12-21-18-7-8-18/h4-6,9-11,14,18,21H,7-8,12-13H2,1-3H3
InChIKeyMDWSHZNSOPKUOH-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.34
Rot. Bonds7

About N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine

N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 82453211) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID82453211
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1nc(-c2ccc(OCC(C)C)cc2)ccc1CNC1CC1
InChIInChI=1S/C20H26N2O/c1-14(2)13-23-19-9-4-16(5-10-19)20-11-6-17(15(3)22-20)12-21-18-7-8-18/h4-6,9-11,14,18,21H,7-8,12-13H2,1-3H3
InChIKeyMDWSHZNSOPKUOH-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82453135
N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 82453445
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
CID 62595732
5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915282
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
N-[[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 83138147
N-[[6-(2-cyclobutylethoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 106205525
N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034453
N-[[4-fluoro-2-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]phenyl]methyl]-1-methylpiperidin-4-amine
CID 166818497

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine (CID 82453211) is N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine is Cc1nc(-c2ccc(OCC(C)C)cc2)ccc1CNC1CC1.
What is the InChIKey of N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MDWSHZNSOPKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)13-23-19-9-4-16(5-10-19)20-11-6-17(15(3)22-20)12-21-18-7-8-18/h4-6,9-11,14,18,21H,7-8,12-13H2,1-3H3.
What are the key properties of N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 310.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 82453211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).