1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C18H21FN2 — CID 115376458

IUPAC1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NC2CC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H21FN2/c1-21(2)18-5-3-4-16(12-18)20-17-10-14(11-17)13-6-8-15(19)9-7-13/h3-9,12,14,17,20H,10-11H2,1-2H3
InChIKeyLYCBIAJWMFWPTC-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.25
Rot. Bonds4

About 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115376458) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115376458
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NC2CC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H21FN2/c1-21(2)18-5-3-4-16(12-18)20-17-10-14(11-17)13-6-8-15(19)9-7-13/h3-9,12,14,17,20H,10-11H2,1-2H3
InChIKeyLYCBIAJWMFWPTC-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115376458) is 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(NC2CC(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is LYCBIAJWMFWPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-21(2)18-5-3-4-16(12-18)20-17-10-14(11-17)13-6-8-15(19)9-7-13/h3-9,12,14,17,20H,10-11H2,1-2H3.
What are the key properties of 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 284.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(4-fluorophenyl)cyclobutyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).