1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine

C10H12ClNO — CID 83753333

IUPAC1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCC1COc2c(Cl)cccc21
InChIInChI=1S/C10H12ClNO/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3
InChIKeyZTMDYNMCKBSBKN-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.04
Rot. Bonds2

About 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine

1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine (PubChem CID 83753333) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
PubChem CID83753333
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCC1COc2c(Cl)cccc21
InChIInChI=1S/C10H12ClNO/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3
InChIKeyZTMDYNMCKBSBKN-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
7-chloro-N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 131089948
8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
CID 82188571
(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832
1-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753180
8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188187
8-chloro-3-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186909
(3R)-3-(butylaminomethyl)-8-chloro-2,3-dihydrochromen-4-one
CID 97355760
8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188575
1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 112545998
1-[8-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 165409290

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine (CID 83753333) is 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine is CNCC1COc2c(Cl)cccc21.
What is the InChIKey of 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The InChIKey is ZTMDYNMCKBSBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine has a molecular weight of 197.66 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83753333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).