N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine

C20H18N2 — CID 59230852

IUPACN-[(4-aminophenyl)methyl]-9H-fluoren-1-amine
SMILESNc1ccc(CNc2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H18N2/c21-16-10-8-14(9-11-16)13-22-20-7-3-6-18-17-5-2-1-4-15(17)12-19(18)20/h1-11,22H,12-13,21H2
InChIKeyTXAKWSWXJROWKG-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.45
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine

N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine (PubChem CID 59230852) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-9H-fluoren-1-amine
PubChem CID59230852
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC NameN-[(4-aminophenyl)methyl]-9H-fluoren-1-amine
SMILESNc1ccc(CNc2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H18N2/c21-16-10-8-14(9-11-16)13-22-20-7-3-6-18-17-5-2-1-4-15(17)12-19(18)20/h1-11,22H,12-13,21H2
InChIKeyTXAKWSWXJROWKG-UHFFFAOYSA-N
XLogP4.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine (CID 59230852) is N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine is Nc1ccc(CNc2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine?
The InChIKey is TXAKWSWXJROWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c21-16-10-8-14(9-11-16)13-22-20-7-3-6-18-17-5-2-1-4-15(17)12-19(18)20/h1-11,22H,12-13,21H2.
What are the key properties of N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine?
N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine has a molecular weight of 286.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine is sourced from PubChem (CID 59230852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).