1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid

C15H20FNO2 — CID 115246561

IUPAC1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(CN(C)CC2(C(=O)O)CCC2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-11-8-12(4-5-13(11)16)9-17(2)10-15(14(18)19)6-3-7-15/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyRERFXSVPSBDOAE-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.82
Rot. Bonds5

About 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246561) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115246561
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(CN(C)CC2(C(=O)O)CCC2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-11-8-12(4-5-13(11)16)9-17(2)10-15(14(18)19)6-3-7-15/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyRERFXSVPSBDOAE-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid 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

1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82291603
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62270870
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115242988
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 55055654
1-[2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551400
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
4-[(4-fluoro-3-methylphenyl)methyl-methylamino]-3-oxobutanenitrile
CID 117038442
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid (CID 115246561) is 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid is Cc1cc(CN(C)CC2(C(=O)O)CCC2)ccc1F.
What is the InChIKey of 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is RERFXSVPSBDOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-8-12(4-5-13(11)16)9-17(2)10-15(14(18)19)6-3-7-15/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).