N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C19H19NO — CID 55386970

IUPACN-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc2c(c1)CCC(NCc1cc3ccccc3o1)C2
InChIInChI=1S/C19H19NO/c1-2-6-15-11-17(10-9-14(15)5-1)20-13-18-12-16-7-3-4-8-19(16)21-18/h1-8,12,17,20H,9-11,13H2
InChIKeyRCQZDVYINJNYHM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.08
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55386970) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55386970
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc2c(c1)CCC(NCc1cc3ccccc3o1)C2
InChIInChI=1S/C19H19NO/c1-2-6-15-11-17(10-9-14(15)5-1)20-13-18-12-16-7-3-4-8-19(16)21-18/h1-8,12,17,20H,9-11,13H2
InChIKeyRCQZDVYINJNYHM-UHFFFAOYSA-N
XLogP4.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2788390
CID 2788390
CID 453439
CID 453439
CID 101897892
CID 101897892
CID 454421
CID 454421
CID 17173009
CID 17173009
CID 24818395
CID 24818395
CID 3563853
CID 3563853
CID 725659
CID 725659
CID 5009938
CID 5009938
CID 1157517
CID 1157517
CID 454453
CID 454453
CID 749682
CID 749682

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55386970) is N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is c1ccc2c(c1)CCC(NCc1cc3ccccc3o1)C2.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is RCQZDVYINJNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-6-15-11-17(10-9-14(15)5-1)20-13-18-12-16-7-3-4-8-19(16)21-18/h1-8,12,17,20H,9-11,13H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55386970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).