2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine

C17H21N3 — CID 15023223

IUPAC2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine
SMILESCN(Cc1ccc(N)cc1)C1Cc2ccc(N)cc2C1
InChIInChI=1S/C17H21N3/c1-20(11-12-2-5-15(18)6-3-12)17-9-13-4-7-16(19)8-14(13)10-17/h2-8,17H,9-11,18-19H2,1H3
InChIKeyASABVFJTULMTCD-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.45
Rot. Bonds3

About 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine

2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine (PubChem CID 15023223) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine
PubChem CID15023223
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine
SMILESCN(Cc1ccc(N)cc1)C1Cc2ccc(N)cc2C1
InChIInChI=1S/C17H21N3/c1-20(11-12-2-5-15(18)6-3-12)17-9-13-4-7-16(19)8-14(13)10-17/h2-8,17H,9-11,18-19H2,1H3
InChIKeyASABVFJTULMTCD-UHFFFAOYSA-N
XLogP2.45
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine?
The IUPAC name of 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine (CID 15023223) is 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine.
What is the SMILES notation for 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine?
The canonical SMILES for 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine is CN(Cc1ccc(N)cc1)C1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine?
The InChIKey is ASABVFJTULMTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-20(11-12-2-5-15(18)6-3-12)17-9-13-4-7-16(19)8-14(13)10-17/h2-8,17H,9-11,18-19H2,1H3.
What are the key properties of 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine?
2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine is sourced from PubChem (CID 15023223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).