3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

C15H23FN2 — CID 113490010

IUPAC3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(c1ccc(F)cc1)C(C)(CN)CC1CCC1
InChIInChI=1S/C15H23FN2/c1-15(11-17,10-12-4-3-5-12)18(2)14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11,17H2,1-2H3
InChIKeyPCAVZRVFKVOTOV-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.17
Rot. Bonds5

About 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 113490010) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID113490010
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(c1ccc(F)cc1)C(C)(CN)CC1CCC1
InChIInChI=1S/C15H23FN2/c1-15(11-17,10-12-4-3-5-12)18(2)14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11,17H2,1-2H3
InChIKeyPCAVZRVFKVOTOV-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
2-cyclopropyl-2-(4-fluorophenyl)propan-1-amine
CID 83830466
3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 113489960
1-cyclohexyl-2-(4-fluorophenyl)propan-2-amine
CID 62621993
2-N-(cyclopropylmethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831441
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine
CID 112567178
N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 65247212
2-ethyl-N'-(4-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259232
3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 113490048

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 113490010) is 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is CN(c1ccc(F)cc1)C(C)(CN)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is PCAVZRVFKVOTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(11-17,10-12-4-3-5-12)18(2)14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11,17H2,1-2H3.
What are the key properties of 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-N-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 113490010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).