2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine

C17H27FN2 — CID 103561131

IUPAC2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
SMILESCC(C)C1CC(Nc2ccc(N(C)C(C)C)c(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-11(2)13-8-15(9-13)19-14-6-7-17(16(18)10-14)20(5)12(3)4/h6-7,10-13,15,19H,8-9H2,1-5H3
InChIKeyUNDDTBRXIGHIKU-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.52
Rot. Bonds5

About 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine

2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine (PubChem CID 103561131) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
PubChem CID103561131
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
SMILESCC(C)C1CC(Nc2ccc(N(C)C(C)C)c(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-11(2)13-8-15(9-13)19-14-6-7-17(16(18)10-14)20(5)12(3)4/h6-7,10-13,15,19H,8-9H2,1-5H3
InChIKeyUNDDTBRXIGHIKU-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine (CID 103561131) is 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine is CC(C)C1CC(Nc2ccc(N(C)C(C)C)c(F)c2)C1.
What is the InChIKey of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine?
The InChIKey is UNDDTBRXIGHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-11(2)13-8-15(9-13)19-14-6-7-17(16(18)10-14)20(5)12(3)4/h6-7,10-13,15,19H,8-9H2,1-5H3.
What are the key properties of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine?
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine has a molecular weight of 278.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine is sourced from PubChem (CID 103561131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).