1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine

C14H18ClNO — CID 65438491

IUPAC1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc2c(C)ccc(Cl)c2o1
InChIInChI=1S/C14H18ClNO/c1-4-5-12(16-3)13-8-10-9(2)6-7-11(15)14(10)17-13/h6-8,12,16H,4-5H2,1-3H3
InChIKeyPYYOYSCYDBANAQ-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.46
Rot. Bonds4

About 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine

1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine (PubChem CID 65438491) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
PubChem CID65438491
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cc2c(C)ccc(Cl)c2o1
InChIInChI=1S/C14H18ClNO/c1-4-5-12(16-3)13-8-10-9(2)6-7-11(15)14(10)17-13/h6-8,12,16H,4-5H2,1-3H3
InChIKeyPYYOYSCYDBANAQ-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(5-bromo-4,7-dichloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 107662146
1-(7-chloro-4-methyl-1-benzofuran-2-yl)propan-1-ol
CID 65439178
1-(4,6-dimethyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65439436
(7-chloro-4-methyl-1-benzofuran-2-yl)methanol
CID 65439177
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438982
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845717
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 116690943
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine (CID 65438491) is 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine is CCCC(NC)c1cc2c(C)ccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine?
The InChIKey is PYYOYSCYDBANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-4-5-12(16-3)13-8-10-9(2)6-7-11(15)14(10)17-13/h6-8,12,16H,4-5H2,1-3H3.
What are the key properties of 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine?
1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-methyl-1-benzofuran-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 65438491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).