N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H23ClN2O2 — CID 66391246

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H23ClN2O2/c1-18(7-8-19-2)6-5-17-11-14-10-12-9-13(16)3-4-15(12)20-14/h3-4,9,14,17H,5-8,10-11H2,1-2H3
InChIKeyHFNJKWXGHLASIT-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.81
Rot. Bonds8

About N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 66391246) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID66391246
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H23ClN2O2/c1-18(7-8-19-2)6-5-17-11-14-10-12-9-13(16)3-4-15(12)20-14/h3-4,9,14,17H,5-8,10-11H2,1-2H3
InChIKeyHFNJKWXGHLASIT-UHFFFAOYSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-Dihydro-benzofuran-2-ylmethyl)-piperazine
CID 3159664
(3S)-3-[(R)-(4-chloro-2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562713
2-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262583
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
2-[2-[(5-Chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957117
1-[(5-Chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine
CID 162671115
2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 6470043
2-Methylaminomethyl-2,3-dihydrobenzofuran
CID 29939
2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
1-({2-[(5-Chloro-2-ethoxybenzyl)amino]ethyl}amino)-2-propanol
CID 11957121
N-[(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 36806
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 121418637

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 66391246) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNCC1Cc2cc(Cl)ccc2O1.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is HFNJKWXGHLASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-18(7-8-19-2)6-5-17-11-14-10-12-9-13(16)3-4-15(12)20-14/h3-4,9,14,17H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 298.81 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66391246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).