3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid

C19H20ClNO2 — CID 122035324

IUPAC3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNCC2(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20ClNO2/c20-17-6-2-3-14(10-17)11-19(7-8-19)13-21-12-15-4-1-5-16(9-15)18(22)23/h1-6,9-10,21H,7-8,11-13H2,(H,22,23)
InChIKeyGBKGXUAPJMQOBN-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.15
Rot. Bonds7

About 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid

3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid (PubChem CID 122035324) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid
PubChem CID122035324
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNCC2(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20ClNO2/c20-17-6-2-3-14(10-17)11-19(7-8-19)13-21-12-15-4-1-5-16(9-15)18(22)23/h1-6,9-10,21H,7-8,11-13H2,(H,22,23)
InChIKeyGBKGXUAPJMQOBN-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic 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

3-[[[1-(4-chlorophenyl)cyclopentyl]methylamino]methyl]benzoic acid
CID 122030663
3-[[[1-(4-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122030975
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
3-[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]methyl]benzoic acid
CID 122031882
3-[[[3-(3-chlorophenyl)-2,2-dimethylpropyl]amino]methyl]benzoic acid
CID 122031915
3-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylcarbamoylamino]propanoic acid
CID 122017314
3-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845585
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
tert-butyl 4-[[(3-chlorophenyl)methylamino]methyl]-4-ethylpiperidine-1-carboxylate
CID 114280549
3-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]benzoic acid
CID 122030882
3-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]benzoic acid
CID 103253182
3-[[[1-(4-bromo-2-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122034798

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid?
The IUPAC name of 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid (CID 122035324) is 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid?
The canonical SMILES for 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid is O=C(O)c1cccc(CNCC2(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid?
The InChIKey is GBKGXUAPJMQOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-17-6-2-3-14(10-17)11-19(7-8-19)13-21-12-15-4-1-5-16(9-15)18(22)23/h1-6,9-10,21H,7-8,11-13H2,(H,22,23).
What are the key properties of 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid?
3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid has a molecular weight of 329.83 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid is sourced from PubChem (CID 122035324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).