3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine

C14H18ClNO — CID 114735605

IUPAC3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H18ClNO/c1-9(8-16-3)10(2)14-7-11-6-12(15)4-5-13(11)17-14/h4-7,9-10,16H,8H2,1-3H3
InChIKeyJPCFBFPOWHDYMX-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.05
Rot. Bonds4

About 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine

3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine (PubChem CID 114735605) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
PubChem CID114735605
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H18ClNO/c1-9(8-16-3)10(2)14-7-11-6-12(15)4-5-13(11)17-14/h4-7,9-10,16H,8H2,1-3H3
InChIKeyJPCFBFPOWHDYMX-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
CID 114732842
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
CID 114729838
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 114735641
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105185660

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine (CID 114735605) is 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine is CNCC(C)C(C)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is JPCFBFPOWHDYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9(8-16-3)10(2)14-7-11-6-12(15)4-5-13(11)17-14/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 114735605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).