N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine

C14H22N2O — CID 66346636

IUPACN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)CC1Cc2ccccc2O1
InChIInChI=1S/C14H22N2O/c1-11(8-15)9-16(2)10-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyQMTNMNCHIPTHNZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.52
Rot. Bonds5

About N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine

N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 66346636) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID66346636
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)CC1Cc2ccccc2O1
InChIInChI=1S/C14H22N2O/c1-11(8-15)9-16(2)10-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyQMTNMNCHIPTHNZ-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide
CID 66364753
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methoxy-N-methylpropan-1-amine
CID 66364230
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 66363965
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 66346640
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline
CID 66365541

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine (CID 66346636) is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine is CC(CN)CN(C)CC1Cc2ccccc2O1.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is QMTNMNCHIPTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(8-15)9-16(2)10-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13H,7-10,15H2,1-2H3.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 66346636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).