2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid

C14H19NO2 — CID 115221380

IUPAC2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(N(C)CC2CC2C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO2/c1-9-4-5-13(10(2)6-9)15(3)8-11-7-12(11)14(16)17/h4-6,11-12H,7-8H2,1-3H3,(H,16,17)
InChIKeyKWRVJWLCYIKOQH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds4

About 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid

2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221380) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221380
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(N(C)CC2CC2C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO2/c1-9-4-5-13(10(2)6-9)15(3)8-11-7-12(11)14(16)17/h4-6,11-12H,7-8H2,1-3H3,(H,16,17)
InChIKeyKWRVJWLCYIKOQH-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221435
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221411
2-[(2,4-difluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221405
2-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221393
2-[(4-fluoro-N,3-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221370
2-[(4-chloro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221367
2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol
CID 79856196
N,2,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 130492719
2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol
CID 79848900
2-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221646
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
N,2,4-trimethyl-N-[[2-(methylamino)cyclopentyl]methyl]aniline
CID 62609293

Frequently Asked Questions

What is the IUPAC name of 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid (CID 115221380) is 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid is Cc1ccc(N(C)CC2CC2C(=O)O)c(C)c1.
What is the InChIKey of 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KWRVJWLCYIKOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-4-5-13(10(2)6-9)15(3)8-11-7-12(11)14(16)17/h4-6,11-12H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).