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

C14H17Cl2NO — CID 81048672

IUPACN-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H17Cl2NO/c1-8-12(7-17-14(2,3)4)18-11-6-9(15)5-10(16)13(8)11/h5-6,17H,7H2,1-4H3
InChIKeyZQADXICWBUJHQZ-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.94
Rot. Bonds2

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

N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 81048672) 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-2-amine.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID81048672
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)oc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H17Cl2NO/c1-8-12(7-17-14(2,3)4)18-11-6-9(15)5-10(16)13(8)11/h5-6,17H,7H2,1-4H3
InChIKeyZQADXICWBUJHQZ-UHFFFAOYSA-N
XLogP4.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3,5,6-trimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048795
N-[(7-fluoro-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048503
N-[(5-bromo-6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 115410731
N-[(7-tert-butyl-3,4-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81041067
2-methyl-N-[(4,5,7-trichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 104842863
N-[(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81041095
(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-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
N-[(7-bromo-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048068

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 81048672) is N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is Cc1c(CNC(C)(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-2-amine?
The InChIKey is ZQADXICWBUJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-8-12(7-17-14(2,3)4)18-11-6-9(15)5-10(16)13(8)11/h5-6,17H,7H2,1-4H3.
What are the key properties of N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(4,6-dichloro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 286.20 g/mol, XLogP of 4.94, 2 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-2-amine is sourced from PubChem (CID 81048672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).