(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine

C14H12ClNO2 — CID 114730975

IUPAC(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H12ClNO2/c1-8-5-6-17-13(8)12(16)11-7-9-3-2-4-10(15)14(9)18-11/h2-7,12H,16H2,1H3
InChIKeyHOLXWRPEXOQLKG-UHFFFAOYSA-N
MW261.71 g/mol
LogP4.04
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine

(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine (PubChem CID 114730975) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
PubChem CID114730975
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H12ClNO2/c1-8-5-6-17-13(8)12(16)11-7-9-3-2-4-10(15)14(9)18-11/h2-7,12H,16H2,1H3
InChIKeyHOLXWRPEXOQLKG-UHFFFAOYSA-N
XLogP4.04
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine (CID 114730975) is (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine is Cc1ccoc1C(N)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine?
The InChIKey is HOLXWRPEXOQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-8-5-6-17-13(8)12(16)11-7-9-3-2-4-10(15)14(9)18-11/h2-7,12H,16H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine?
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine has a molecular weight of 261.71 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 114730975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).