N-phenyl-1,2-dihydroacenaphthylen-5-amine

C18H15N — CID 1236299

IUPACN-phenyl-1,2-dihydroacenaphthylen-5-amine
SMILESc1ccc(Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C18H15N/c1-2-6-15(7-3-1)19-17-12-11-14-10-9-13-5-4-8-16(17)18(13)14/h1-8,11-12,19H,9-10H2
InChIKeyXVVRBGXWPDPMBY-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.68
Rot. Bonds2

About N-phenyl-1,2-dihydroacenaphthylen-5-amine

N-phenyl-1,2-dihydroacenaphthylen-5-amine (PubChem CID 1236299) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is N-phenyl-1,2-dihydroacenaphthylen-5-amine.

Molecular Properties

Compound NameN-phenyl-1,2-dihydroacenaphthylen-5-amine
PubChem CID1236299
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC NameN-phenyl-1,2-dihydroacenaphthylen-5-amine
SMILESc1ccc(Nc2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C18H15N/c1-2-6-15(7-3-1)19-17-12-11-14-10-9-13-5-4-8-16(17)18(13)14/h1-8,11-12,19H,9-10H2
InChIKeyXVVRBGXWPDPMBY-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,2-dihydroacenaphthylen-5-amine?
The IUPAC name of N-phenyl-1,2-dihydroacenaphthylen-5-amine (CID 1236299) is N-phenyl-1,2-dihydroacenaphthylen-5-amine.
What is the SMILES notation for N-phenyl-1,2-dihydroacenaphthylen-5-amine?
The canonical SMILES for N-phenyl-1,2-dihydroacenaphthylen-5-amine is c1ccc(Nc2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of N-phenyl-1,2-dihydroacenaphthylen-5-amine?
The InChIKey is XVVRBGXWPDPMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-2-6-15(7-3-1)19-17-12-11-14-10-9-13-5-4-8-16(17)18(13)14/h1-8,11-12,19H,9-10H2.
What are the key properties of N-phenyl-1,2-dihydroacenaphthylen-5-amine?
N-phenyl-1,2-dihydroacenaphthylen-5-amine has a molecular weight of 245.33 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,2-dihydroacenaphthylen-5-amine is sourced from PubChem (CID 1236299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).