1-N-(2-chlorophenyl)naphthalene-1,5-diamine

C16H13ClN2 — CID 134490531

IUPAC1-N-(2-chlorophenyl)naphthalene-1,5-diamine
SMILESNc1cccc2c(Nc3ccccc3Cl)cccc12
InChIInChI=1S/C16H13ClN2/c17-13-7-1-2-9-16(13)19-15-10-4-5-11-12(15)6-3-8-14(11)18/h1-10,19H,18H2
InChIKeySTEYBRSBHDESNR-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.82
Rot. Bonds2

About 1-N-(2-chlorophenyl)naphthalene-1,5-diamine

1-N-(2-chlorophenyl)naphthalene-1,5-diamine (PubChem CID 134490531) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-N-(2-chlorophenyl)naphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2-chlorophenyl)naphthalene-1,5-diamine
PubChem CID134490531
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name1-N-(2-chlorophenyl)naphthalene-1,5-diamine
SMILESNc1cccc2c(Nc3ccccc3Cl)cccc12
InChIInChI=1S/C16H13ClN2/c17-13-7-1-2-9-16(13)19-15-10-4-5-11-12(15)6-3-8-14(11)18/h1-10,19H,18H2
InChIKeySTEYBRSBHDESNR-UHFFFAOYSA-N
XLogP4.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.82
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-chlorophenyl)naphthalene-1,5-diamine?
The IUPAC name of 1-N-(2-chlorophenyl)naphthalene-1,5-diamine (CID 134490531) is 1-N-(2-chlorophenyl)naphthalene-1,5-diamine.
What is the SMILES notation for 1-N-(2-chlorophenyl)naphthalene-1,5-diamine?
The canonical SMILES for 1-N-(2-chlorophenyl)naphthalene-1,5-diamine is Nc1cccc2c(Nc3ccccc3Cl)cccc12.
What is the InChIKey of 1-N-(2-chlorophenyl)naphthalene-1,5-diamine?
The InChIKey is STEYBRSBHDESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-13-7-1-2-9-16(13)19-15-10-4-5-11-12(15)6-3-8-14(11)18/h1-10,19H,18H2.
What are the key properties of 1-N-(2-chlorophenyl)naphthalene-1,5-diamine?
1-N-(2-chlorophenyl)naphthalene-1,5-diamine has a molecular weight of 268.75 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chlorophenyl)naphthalene-1,5-diamine is sourced from PubChem (CID 134490531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).