1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid

C16H23NO2 — CID 116912063

IUPAC1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(C(N(C)C)C2(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-4-5-12-6-8-13(9-7-12)14(17(2)3)16(10-11-16)15(18)19/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyARIILXQCXLLOHK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds6

About 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid

1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116912063) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116912063
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(C(N(C)C)C2(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-4-5-12-6-8-13(9-7-12)14(17(2)3)16(10-11-16)15(18)19/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyARIILXQCXLLOHK-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[dimethylamino-(4-propylphenyl)methyl]oxetane-3-carbonitrile
CID 116912818
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
CID 116913035
2-(4-propylphenyl)propanoic acid
CID 14880971
1-[dimethylamino-(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116912095
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237
dimethylamino-(4-propylphenyl)methanethiol
CID 116909375
2-methyl-3-(4-propylphenyl)butanoic acid
CID 79730190
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
methyl-(4-propylphenyl)carbamic acid
CID 115170704
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid (CID 116912063) is 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid is CCCc1ccc(C(N(C)C)C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ARIILXQCXLLOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-5-12-6-8-13(9-7-12)14(17(2)3)16(10-11-16)15(18)19/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino-(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116912063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).