2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine

C18H22N2O2 — CID 100657213

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cncc(CNC(C)(C)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H22N2O2/c1-13-8-14(11-19-10-13)12-20-18(2,3)15-4-5-16-17(9-15)22-7-6-21-16/h4-5,8-11,20H,6-7,12H2,1-3H3
InChIKeyCNUBPYIYHSLKNR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.19
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 100657213) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
PubChem CID100657213
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cncc(CNC(C)(C)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H22N2O2/c1-13-8-14(11-19-10-13)12-20-18(2,3)15-4-5-16-17(9-15)22-7-6-21-16/h4-5,8-11,20H,6-7,12H2,1-3H3
InChIKeyCNUBPYIYHSLKNR-UHFFFAOYSA-N
XLogP3.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine 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-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 102880645
2-(1,3-benzodioxol-5-yl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]propan-2-amine
CID 96528771
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 113216776
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 102794623
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216761
N-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 104796664
4-chloro-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 102879048
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719777
1-chloro-2-(chloromethyl)-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 107867153

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine (CID 100657213) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine is Cc1cncc(CNC(C)(C)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is CNUBPYIYHSLKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-14(11-19-10-13)12-20-18(2,3)15-4-5-16-17(9-15)22-7-6-21-16/h4-5,8-11,20H,6-7,12H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 298.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 100657213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).