2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid

C14H19NO2 — CID 63956833

IUPAC2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
SMILESCCN(Cc1ccccc1C(=O)O)CC1CC1
InChIInChI=1S/C14H19NO2/c1-2-15(9-11-7-8-11)10-12-5-3-4-6-13(12)14(16)17/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyMWYVWUVJGIQXLS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.62
Rot. Bonds6

About 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid

2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid (PubChem CID 63956833) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
PubChem CID63956833
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
SMILESCCN(Cc1ccccc1C(=O)O)CC1CC1
InChIInChI=1S/C14H19NO2/c1-2-15(9-11-7-8-11)10-12-5-3-4-6-13(12)14(16)17/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyMWYVWUVJGIQXLS-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoic acid
CID 107119511
2-[[ethyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 56704647
2-[[ethyl(methyl)amino]methyl]benzoic acid
CID 43473290
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116611
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 63954992
2-[[bis(2-methylpropyl)amino]methyl]benzoic acid
CID 22680071
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
CID 112568608
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77022698

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid?
The IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid (CID 63956833) is 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid is CCN(Cc1ccccc1C(=O)O)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid?
The InChIKey is MWYVWUVJGIQXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-15(9-11-7-8-11)10-12-5-3-4-6-13(12)14(16)17/h3-6,11H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid?
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 63956833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).