4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid

C14H19NO2 — CID 63954988

IUPAC4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
SMILESCCN(CC1CC1)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO2/c1-3-15(9-11-4-5-11)12-6-7-13(14(16)17)10(2)8-12/h6-8,11H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyXDGRPDLNEBVOKX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.93
Rot. Bonds5

About 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid

4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid (PubChem CID 63954988) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
PubChem CID63954988
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
SMILESCCN(CC1CC1)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO2/c1-3-15(9-11-4-5-11)12-6-7-13(14(16)17)10(2)8-12/h6-8,11H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyXDGRPDLNEBVOKX-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
4-[bis(cyclopropylmethyl)amino]-2-fluorobenzoic acid
CID 115485485
3-[cyclopropylmethyl(ethyl)amino]benzoic acid
CID 102823020
2-amino-4-[bis(cyclopropylmethyl)amino]benzoic acid
CID 113419827
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
2-[cyclopropylmethyl(ethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63940124
2-[cyclobutylmethyl(ethyl)amino]-3-methylbenzoic acid
CID 107402214
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarbothioamide
CID 63954578
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid (CID 63954988) is 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid is CCN(CC1CC1)c1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid?
The InChIKey is XDGRPDLNEBVOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15(9-11-4-5-11)12-6-7-13(14(16)17)10(2)8-12/h6-8,11H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid?
4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63954988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).