N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine

C10H13NO — CID 142062864

IUPACN,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine
SMILESCN(C)C1OC=C2C=CC=CC21
InChIInChI=1S/C10H13NO/c1-11(2)10-9-6-4-3-5-8(9)7-12-10/h3-7,9-10H,1-2H3
InChIKeyOABKCNQOPNAFJT-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.53
Rot. Bonds1

About N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine

N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine (PubChem CID 142062864) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine
PubChem CID142062864
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine
SMILESCN(C)C1OC=C2C=CC=CC21
InChIInChI=1S/C10H13NO/c1-11(2)10-9-6-4-3-5-8(9)7-12-10/h3-7,9-10H,1-2H3
InChIKeyOABKCNQOPNAFJT-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 123396101
1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 14591216

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine?
The IUPAC name of N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine (CID 142062864) is N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine.
What is the SMILES notation for N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine?
The canonical SMILES for N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine is CN(C)C1OC=C2C=CC=CC21.
What is the InChIKey of N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine?
The InChIKey is OABKCNQOPNAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11(2)10-9-6-4-3-5-8(9)7-12-10/h3-7,9-10H,1-2H3.
What are the key properties of N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine?
N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine is sourced from PubChem (CID 142062864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).