(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine

C12H18N2O — CID 104867584

IUPAC(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC1Cc2ccccc2O1
InChIInChI=1S/C12H18N2O/c1-9(7-13)14-8-11-6-10-4-2-3-5-12(10)15-11/h2-5,9,11,14H,6-8,13H2,1H3/t9-,11?/m0/s1
InChIKeyDRXORIJQCCMPCV-FTNKSUMCSA-N
MW206.29 g/mol
LogP0.93
Rot. Bonds4

About (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine

(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine (PubChem CID 104867584) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
PubChem CID104867584
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC1Cc2ccccc2O1
InChIInChI=1S/C12H18N2O/c1-9(7-13)14-8-11-6-10-4-2-3-5-12(10)15-11/h2-5,9,11,14H,6-8,13H2,1H3/t9-,11?/m0/s1
InChIKeyDRXORIJQCCMPCV-FTNKSUMCSA-N
XLogP0.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 61003470
1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
CID 79539978
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine (CID 104867584) is (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine is C[C@@H](CN)NCC1Cc2ccccc2O1.
What is the InChIKey of (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine?
The InChIKey is DRXORIJQCCMPCV-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(7-13)14-8-11-6-10-4-2-3-5-12(10)15-11/h2-5,9,11,14H,6-8,13H2,1H3/t9-,11?/m0/s1.
What are the key properties of (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine?
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104867584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).