3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine

C14H21FN2 — CID 113490048

IUPAC3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(CC1CCC1)Nc1ccccc1F
InChIInChI=1S/C14H21FN2/c1-14(10-16,9-11-5-4-6-11)17-13-8-3-2-7-12(13)15/h2-3,7-8,11,17H,4-6,9-10,16H2,1H3
InChIKeyKMUSKFRDVLAWFU-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.15
Rot. Bonds5

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

3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 113490048) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID113490048
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(CC1CCC1)Nc1ccccc1F
InChIInChI=1S/C14H21FN2/c1-14(10-16,9-11-5-4-6-11)17-13-8-3-2-7-12(13)15/h2-3,7-8,11,17H,4-6,9-10,16H2,1H3
InChIKeyKMUSKFRDVLAWFU-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-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

methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
CID 113490114
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
CID 65378984
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
2-cyclopropyl-2-(2-fluoroanilino)butanamide
CID 64920389
(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene
CID 57172293
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
3-cyclopentyl-2-fluoro-2-phenylpropan-1-amine
CID 112566200
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine (CID 113490048) is 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine is CC(CN)(CC1CCC1)Nc1ccccc1F.
What is the InChIKey of 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is KMUSKFRDVLAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(10-16,9-11-5-4-6-11)17-13-8-3-2-7-12(13)15/h2-3,7-8,11,17H,4-6,9-10,16H2,1H3.
What are the key properties of 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 113490048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).