1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

C15H18ClNO2 — CID 114730060

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc2cc(Cl)ccc2o1)C1(C)CCCO1
InChIInChI=1S/C15H18ClNO2/c1-15(6-3-7-18-15)14(17-2)13-9-10-8-11(16)4-5-12(10)19-13/h4-5,8-9,14,17H,3,6-7H2,1-2H3
InChIKeyFNGUONYMEXKHTA-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.92
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (PubChem CID 114730060) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
PubChem CID114730060
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc2cc(Cl)ccc2o1)C1(C)CCCO1
InChIInChI=1S/C15H18ClNO2/c1-15(6-3-7-18-15)14(17-2)13-9-10-8-11(16)4-5-12(10)19-13/h4-5,8-9,14,17H,3,6-7H2,1-2H3
InChIKeyFNGUONYMEXKHTA-UHFFFAOYSA-N
XLogP3.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
[(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256316
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105045894
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277
(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
CID 114727016
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731419
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107129013
[(5-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005863
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 114730301

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine (CID 114730060) is 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is CNC(c1cc2cc(Cl)ccc2o1)C1(C)CCCO1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
The InChIKey is FNGUONYMEXKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-15(6-3-7-18-15)14(17-2)13-9-10-8-11(16)4-5-12(10)19-13/h4-5,8-9,14,17H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine?
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine has a molecular weight of 279.77 g/mol, XLogP of 3.92, 3 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)-N-methyl-1-(2-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 114730060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).