(3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine

C16H15Cl2N — CID 82579419

IUPAC(3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine
SMILESCc1ccc2c(c1C)-c1c(ccc(Cl)c1Cl)C2CN
InChIInChI=1S/C16H15Cl2N/c1-8-3-4-10-12(7-19)11-5-6-13(17)16(18)15(11)14(10)9(8)2/h3-6,12H,7,19H2,1-2H3
InChIKeyCXRPNTTWKXSKRC-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.68
Rot. Bonds1

About (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine

(3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine (PubChem CID 82579419) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine
PubChem CID82579419
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name(3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine
SMILESCc1ccc2c(c1C)-c1c(ccc(Cl)c1Cl)C2CN
InChIInChI=1S/C16H15Cl2N/c1-8-3-4-10-12(7-19)11-5-6-13(17)16(18)15(11)14(10)9(8)2/h3-6,12H,7,19H2,1-2H3
InChIKeyCXRPNTTWKXSKRC-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine?
The IUPAC name of (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine (CID 82579419) is (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine.
What is the SMILES notation for (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine?
The canonical SMILES for (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine is Cc1ccc2c(c1C)-c1c(ccc(Cl)c1Cl)C2CN.
What is the InChIKey of (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine?
The InChIKey is CXRPNTTWKXSKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-8-3-4-10-12(7-19)11-5-6-13(17)16(18)15(11)14(10)9(8)2/h3-6,12H,7,19H2,1-2H3.
What are the key properties of (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine?
(3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine has a molecular weight of 292.21 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-5,6-dimethyl-9H-fluoren-9-yl)methanamine is sourced from PubChem (CID 82579419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).