2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline

C20H16ClN — CID 137407895

IUPAC2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline
SMILESCNc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1Cl
InChIInChI=1S/C20H16ClN/c1-22-20-10-9-14(12-19(20)21)16-7-4-8-17-15-6-3-2-5-13(15)11-18(16)17/h2-10,12,22H,11H2,1H3
InChIKeyLNPVEWLAQZXZJK-UHFFFAOYSA-N
MW305.81 g/mol
LogP5.62
Rot. Bonds2

About 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline

2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline (PubChem CID 137407895) has the molecular formula C20H16ClN and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline
PubChem CID137407895
Molecular FormulaC20H16ClN
Molecular Weight305.81 g/mol
Exact Mass305.10
IUPAC Name2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline
SMILESCNc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1Cl
InChIInChI=1S/C20H16ClN/c1-22-20-10-9-14(12-19(20)21)16-7-4-8-17-15-6-3-2-5-13(15)11-18(16)17/h2-10,12,22H,11H2,1H3
InChIKeyLNPVEWLAQZXZJK-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline?
The IUPAC name of 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline (CID 137407895) is 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline.
What is the SMILES notation for 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline?
The canonical SMILES for 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline is CNc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1Cl.
What is the InChIKey of 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline?
The InChIKey is LNPVEWLAQZXZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN/c1-22-20-10-9-14(12-19(20)21)16-7-4-8-17-15-6-3-2-5-13(15)11-18(16)17/h2-10,12,22H,11H2,1H3.
What are the key properties of 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline?
2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline has a molecular weight of 305.81 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline is sourced from PubChem (CID 137407895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).