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

C14H17Cl2NO — CID 81049245

IUPACN-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H17Cl2NO/c1-8(2)6-17-7-13-9(3)14-11(16)4-10(15)5-12(14)18-13/h4-5,8,17H,6-7H2,1-3H3
InChIKeyLWEHBTIEPCQQEM-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.79
Rot. Bonds4

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

N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 81049245) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID81049245
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H17Cl2NO/c1-8(2)6-17-7-13-9(3)14-11(16)4-10(15)5-12(14)18-13/h4-5,8,17H,6-7H2,1-3H3
InChIKeyLWEHBTIEPCQQEM-UHFFFAOYSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048672
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81047737
N-[(4-bromo-6,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 107102905
(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 114377042
N-[[4,6-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377044
N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81037510
N-[(7-bromo-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 81048826
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966
N-(2-methylpropyl)-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350340
2-methyl-N-[[1-(2,4,6-trichlorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737943
N-[[5-chloro-4,6-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376998

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 81049245) is N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is Cc1c(CNCC(C)C)oc2cc(Cl)cc(Cl)c12.
What is the InChIKey of N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is LWEHBTIEPCQQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-8(2)6-17-7-13-9(3)14-11(16)4-10(15)5-12(14)18-13/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 286.20 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81049245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).