(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine

C13H20N2O — CID 104868177

IUPAC(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
SMILESCC1Cc2cc(CN[C@H](C)CN)ccc2O1
InChIInChI=1S/C13H20N2O/c1-9(7-14)15-8-11-3-4-13-12(6-11)5-10(2)16-13/h3-4,6,9-10,15H,5,7-8,14H2,1-2H3/t9-,10?/m1/s1
InChIKeyDTGDLGAKBXNLLB-YHMJZVADSA-N
MW220.32 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine

(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine (PubChem CID 104868177) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
PubChem CID104868177
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
SMILESCC1Cc2cc(CN[C@H](C)CN)ccc2O1
InChIInChI=1S/C13H20N2O/c1-9(7-14)15-8-11-3-4-13-12(6-11)5-10(2)16-13/h3-4,6,9-10,15H,5,7-8,14H2,1-2H3/t9-,10?/m1/s1
InChIKeyDTGDLGAKBXNLLB-YHMJZVADSA-N
XLogP1.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine with MolForge

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Related Compounds

1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 103109579
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
(3R)-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylamino]pentanoic acid
CID 166264602
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
CID 105471600
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 65303126
(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 124930456
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine
CID 166375722

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine (CID 104868177) is (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine is CC1Cc2cc(CN[C@H](C)CN)ccc2O1.
What is the InChIKey of (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
The InChIKey is DTGDLGAKBXNLLB-YHMJZVADSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(7-14)15-8-11-3-4-13-12(6-11)5-10(2)16-13/h3-4,6,9-10,15H,5,7-8,14H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).