4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine

C17H15ClN2 — CID 62369100

IUPAC4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCc1cccc2ccccc12
InChIInChI=1S/C17H15ClN2/c18-14-8-9-17(16(19)10-14)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,20H,11,19H2
InChIKeyXCFQOALHASAHST-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.69
Rot. Bonds3

About 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine

4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine (PubChem CID 62369100) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
PubChem CID62369100
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCc1cccc2ccccc12
InChIInChI=1S/C17H15ClN2/c18-14-8-9-17(16(19)10-14)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,20H,11,19H2
InChIKeyXCFQOALHASAHST-UHFFFAOYSA-N
XLogP4.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.69
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 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine (CID 62369100) is 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine is Nc1cc(Cl)ccc1NCc1cccc2ccccc12.
What is the InChIKey of 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine?
The InChIKey is XCFQOALHASAHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-14-8-9-17(16(19)10-14)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,20H,11,19H2.
What are the key properties of 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine?
4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine has a molecular weight of 282.77 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 62369100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).