1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C18H21FN2 — CID 43635820

IUPAC1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CC(c3ccccc3F)C2)cc1
InChIInChI=1S/C18H21FN2/c1-21(2)16-9-7-14(8-10-16)20-15-11-13(12-15)17-5-3-4-6-18(17)19/h3-10,13,15,20H,11-12H2,1-2H3
InChIKeyGSTKYEZGUVIJPS-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.25
Rot. Bonds4

About 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43635820) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43635820
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CC(c3ccccc3F)C2)cc1
InChIInChI=1S/C18H21FN2/c1-21(2)16-9-7-14(8-10-16)20-15-11-13(12-15)17-5-3-4-6-18(17)19/h3-10,13,15,20H,11-12H2,1-2H3
InChIKeyGSTKYEZGUVIJPS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine
CID 43635825
4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
CID 107571943
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 43633514
4-bromo-2,5-difluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 107609598
2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 63425780
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43632878
3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
CID 104587846
N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633071
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
1-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616913
N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine
CID 113243151

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43635820) is 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NC2CC(c3ccccc3F)C2)cc1.
What is the InChIKey of 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is GSTKYEZGUVIJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-21(2)16-9-7-14(8-10-16)20-15-11-13(12-15)17-5-3-4-6-18(17)19/h3-10,13,15,20H,11-12H2,1-2H3.
What are the key properties of 1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-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-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43635820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).