N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine

C14H17Cl2NO2 — CID 114377044

IUPACN-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCOCc1c(CNC(C)C)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H17Cl2NO2/c1-8(2)17-6-13-10(7-18-3)14-11(16)4-9(15)5-12(14)19-13/h4-5,8,17H,6-7H2,1-3H3
InChIKeyQHTIYAKJYOLPIE-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.38
Rot. Bonds5

About N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine

N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (PubChem CID 114377044) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
PubChem CID114377044
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCOCc1c(CNC(C)C)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H17Cl2NO2/c1-8(2)17-6-13-10(7-18-3)14-11(16)4-9(15)5-12(14)19-13/h4-5,8,17H,6-7H2,1-3H3
InChIKeyQHTIYAKJYOLPIE-UHFFFAOYSA-N
XLogP4.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)-4,6,7-trimethyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114375733
N-[[5-chloro-4,6-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376998
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81049245
N-[[7-bromo-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376086
N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114374927
N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 114377042
N-[[5-bromo-4,7-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 107662994
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048867
N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438619
N-[[5-bromo-3-(methoxymethyl)-4,6-dimethyl-1-benzofuran-2-yl]methyl]ethanamine
CID 107727434

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (CID 114377044) is N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is COCc1c(CNC(C)C)oc2cc(Cl)cc(Cl)c12.
What is the InChIKey of N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The InChIKey is QHTIYAKJYOLPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-8(2)17-6-13-10(7-18-3)14-11(16)4-9(15)5-12(14)19-13/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine has a molecular weight of 302.20 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114377044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).