1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine

C15H20ClNO2 — CID 114731317

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H20ClNO2/c1-5-15(2,18-4)14(17-3)13-9-10-8-11(16)6-7-12(10)19-13/h6-9,14,17H,5H2,1-4H3
InChIKeyRFCMFUINSMRENM-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.16
Rot. Bonds5

About 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine

1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 114731317) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID114731317
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H20ClNO2/c1-5-15(2,18-4)14(17-3)13-9-10-8-11(16)6-7-12(10)19-13/h6-9,14,17H,5H2,1-4H3
InChIKeyRFCMFUINSMRENM-UHFFFAOYSA-N
XLogP4.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731322
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
CID 114729838
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
[2-chloro-1-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroethyl]hydrazine
CID 105265344
[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274485
[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
CID 105246260
1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438890
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114735605
1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 114731317) is 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is RFCMFUINSMRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-5-15(2,18-4)14(17-3)13-9-10-8-11(16)6-7-12(10)19-13/h6-9,14,17H,5H2,1-4H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 281.78 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 114731317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).