2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid

C12H14ClNO2 — CID 115221367

IUPAC2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CC1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-14(7-8-6-11(8)12(15)16)10-4-2-9(13)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,15,16)
InChIKeyYAHBLQTZOWRXLM-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.50
Rot. Bonds4

About 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid

2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221367) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221367
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CC1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-14(7-8-6-11(8)12(15)16)10-4-2-9(13)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,15,16)
InChIKeyYAHBLQTZOWRXLM-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid (CID 115221367) is 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid is CN(CC1CC1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YAHBLQTZOWRXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-14(7-8-6-11(8)12(15)16)10-4-2-9(13)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid?
2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 239.70 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).