3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine

C20H17ClN2 — CID 66797687

IUPAC3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccncc3Cl)cc21
InChIInChI=1S/C20H17ClN2/c1-20(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)20)23-19-9-10-22-12-18(19)21/h3-12H,1-2H3,(H,22,23)
InChIKeySBHZCQYQRQXNLM-UHFFFAOYSA-N
MW320.82 g/mol
LogP5.78
Rot. Bonds2

About 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine

3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine (PubChem CID 66797687) has the molecular formula C20H17ClN2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine
PubChem CID66797687
Molecular FormulaC20H17ClN2
Molecular Weight320.82 g/mol
Exact Mass320.11
IUPAC Name3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccncc3Cl)cc21
InChIInChI=1S/C20H17ClN2/c1-20(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)20)23-19-9-10-22-12-18(19)21/h3-12H,1-2H3,(H,22,23)
InChIKeySBHZCQYQRQXNLM-UHFFFAOYSA-N
XLogP5.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
3-chloro-N-phenylpyridin-4-amine
CID 53468349
9,9-dimethyl-N-[2-(6-methyl-3-pyridinyl)phenyl]fluoren-2-amine
CID 156556730
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine (CID 66797687) is 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccncc3Cl)cc21.
What is the InChIKey of 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine?
The InChIKey is SBHZCQYQRQXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2/c1-20(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)20)23-19-9-10-22-12-18(19)21/h3-12H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine?
3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine has a molecular weight of 320.82 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(9,9-dimethylfluoren-2-yl)pyridin-4-amine is sourced from PubChem (CID 66797687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).