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

C10H10ClNO — CID 83907915

IUPAC(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2c(Cl)cccc2c1CN
InChIInChI=1S/C10H10ClNO/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4H,5,12H2,1H3
InChIKeyKEYQBZWGRPUICL-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.85
Rot. Bonds1

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

(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine (PubChem CID 83907915) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine
PubChem CID83907915
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2c(Cl)cccc2c1CN
InChIInChI=1S/C10H10ClNO/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4H,5,12H2,1H3
InChIKeyKEYQBZWGRPUICL-UHFFFAOYSA-N
XLogP2.85
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-carboxyethyl)-7-chloro-1-benzofuran-2-carboxylic acid
CID 15324757
2-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-2-amine
CID 175312938
N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
CID 70198733
N-[(7-chloro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81047321
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
(6-bromo-2-methyl-1-benzofuran-3-yl)methanamine
CID 83912563
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
3-(2,7-dimethyl-1-benzofuran-3-yl)propanoic acid
CID 83910179
(7-chloro-3-ethyl-1H-indol-2-yl)methanamine
CID 84621210
2-(aminomethyl)-3-chloro-N-ethylaniline
CID 62501434
(5-chloro-1-methylnaphthalen-2-yl)methanamine
CID 115057593

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine (CID 83907915) is (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine is Cc1oc2c(Cl)cccc2c1CN.
What is the InChIKey of (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine?
The InChIKey is KEYQBZWGRPUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4H,5,12H2,1H3.
What are the key properties of (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine?
(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine has a molecular weight of 195.65 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2-methyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 83907915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).