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

C17H19ClN2 — CID 79725130

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c18-14-4-1-12(2-5-14)9-10-20-17-8-3-13-11-15(19)6-7-16(13)17/h1-2,4-7,11,17,20H,3,8-10,19H2
InChIKeyOZGYIWBHMOCOKB-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.74
Rot. Bonds4

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

1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79725130) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79725130
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c18-14-4-1-12(2-5-14)9-10-20-17-8-3-13-11-15(19)6-7-16(13)17/h1-2,4-7,11,17,20H,3,8-10,19H2
InChIKeyOZGYIWBHMOCOKB-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79725130) is 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is OZGYIWBHMOCOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-14-4-1-12(2-5-14)9-10-20-17-8-3-13-11-15(19)6-7-16(13)17/h1-2,4-7,11,17,20H,3,8-10,19H2.
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 286.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79725130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).