1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid

C14H19NO2 — CID 115242888

IUPAC1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C)c(CNCC2(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-11(2)12(7-10)8-15-9-14(5-6-14)13(16)17/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyHQPGETMUMZAUAX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds5

About 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115242888) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115242888
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C)c(CNCC2(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-11(2)12(7-10)8-15-9-14(5-6-14)13(16)17/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyHQPGETMUMZAUAX-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243065
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246521
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242913
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738
1-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243120
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012
1-[[(2-bromophenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242975
1-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242966
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid (CID 115242888) is 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid is Cc1ccc(C)c(CNCC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HQPGETMUMZAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-11(2)12(7-10)8-15-9-14(5-6-14)13(16)17/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115242888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).