[4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine

C19H16ClN — CID 114939497

IUPAC[4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H16ClN/c20-15-8-6-14(11-21)18(10-15)16-9-7-13-5-4-12-2-1-3-17(16)19(12)13/h1-3,6-10H,4-5,11,21H2
InChIKeyPLRNLJGEGWYQFY-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.72
Rot. Bonds2

About [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine

[4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine (PubChem CID 114939497) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine
PubChem CID114939497
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC Name[4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H16ClN/c20-15-8-6-14(11-21)18(10-15)16-9-7-13-5-4-12-2-1-3-17(16)19(12)13/h1-3,6-10H,4-5,11,21H2
InChIKeyPLRNLJGEGWYQFY-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine (CID 114939497) is [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine is NCc1ccc(Cl)cc1-c1ccc2c3c(cccc13)CC2.
What is the InChIKey of [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine?
The InChIKey is PLRNLJGEGWYQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN/c20-15-8-6-14(11-21)18(10-15)16-9-7-13-5-4-12-2-1-3-17(16)19(12)13/h1-3,6-10H,4-5,11,21H2.
What are the key properties of [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine?
[4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine has a molecular weight of 293.80 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine is sourced from PubChem (CID 114939497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).