4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid

C19H19Cl2NO2 — CID 122032223

IUPAC4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNCC2(c3ccc(Cl)cc3Cl)CCC2)cc1
InChIInChI=1S/C19H19Cl2NO2/c20-15-6-7-16(17(21)10-15)19(8-1-9-19)12-22-11-13-2-4-14(5-3-13)18(23)24/h2-7,10,22H,1,8-9,11-12H2,(H,23,24)
InChIKeyGCHUGPFPLAADAA-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.90
Rot. Bonds6

About 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid

4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid (PubChem CID 122032223) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid
PubChem CID122032223
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNCC2(c3ccc(Cl)cc3Cl)CCC2)cc1
InChIInChI=1S/C19H19Cl2NO2/c20-15-6-7-16(17(21)10-15)19(8-1-9-19)12-22-11-13-2-4-14(5-3-13)18(23)24/h2-7,10,22H,1,8-9,11-12H2,(H,23,24)
InChIKeyGCHUGPFPLAADAA-UHFFFAOYSA-N
XLogP4.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid with MolForge

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Related Compounds

4-[[[1-(3-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122031537
3-[[[1-(4-bromo-2-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122034798
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
3-[[[1-(4-chlorophenyl)cyclopentyl]methylamino]methyl]benzoic acid
CID 122030663
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55195361
4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17209952
N-[[1-(2,4-dichlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 63517640
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688
3-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]benzoic acid
CID 122031056
3-[[[1-(4-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122030975
4-[[[1-(3-fluorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122031532
4-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]benzoic acid
CID 82104497

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid?
The IUPAC name of 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid (CID 122032223) is 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid is O=C(O)c1ccc(CNCC2(c3ccc(Cl)cc3Cl)CCC2)cc1.
What is the InChIKey of 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid?
The InChIKey is GCHUGPFPLAADAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-15-6-7-16(17(21)10-15)19(8-1-9-19)12-22-11-13-2-4-14(5-3-13)18(23)24/h2-7,10,22H,1,8-9,11-12H2,(H,23,24).
What are the key properties of 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid?
4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid has a molecular weight of 364.27 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid is sourced from PubChem (CID 122032223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).