2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid

C15H21ClN2O2 — CID 83118194

IUPAC2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
SMILESCN(C)C1(CNc2cccc(Cl)c2C(=O)O)CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-18(2)15(8-3-4-9-15)10-17-12-7-5-6-11(16)13(12)14(19)20/h5-7,17H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKeyJMBLJTQLVSYSJT-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.32
Rot. Bonds5

About 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid

2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid (PubChem CID 83118194) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
PubChem CID83118194
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
SMILESCN(C)C1(CNc2cccc(Cl)c2C(=O)O)CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-18(2)15(8-3-4-9-15)10-17-12-7-5-6-11(16)13(12)14(19)20/h5-7,17H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKeyJMBLJTQLVSYSJT-UHFFFAOYSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
CID 104834814
3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 83121539
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
2-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methylbenzoic acid
CID 107112365
4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
CID 83121256
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
CID 64694791
2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
CID 62711304
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
2-chloro-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]benzoic acid
CID 107854812
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid (CID 83118194) is 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid is CN(C)C1(CNc2cccc(Cl)c2C(=O)O)CCCC1.
What is the InChIKey of 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
The InChIKey is JMBLJTQLVSYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18(2)15(8-3-4-9-15)10-17-12-7-5-6-11(16)13(12)14(19)20/h5-7,17H,3-4,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid has a molecular weight of 296.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid is sourced from PubChem (CID 83118194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).