N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride

C18H32ClNO3 — CID 20976319

IUPACN,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride
SMILESCCN(CC)CC(C)(C)C.CCOc1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C9H21N.C9H10O3.ClH/c1-6-10(7-2)8-9(3,4)5;1-2-12-8-5-3-7(4-6-8)9(10)11;/h6-8H2,1-5H3;3-6H,2H2,1H3,(H,10,11);1H
InChIKeyWIPWRAKUSCRBQW-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.58
Rot. Bonds6

About N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride

N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride (PubChem CID 20976319) has the molecular formula C18H32ClNO3 and a molecular weight of 345.91 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride
PubChem CID20976319
Molecular FormulaC18H32ClNO3
Molecular Weight345.91 g/mol
Exact Mass345.21
IUPAC NameN,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride
SMILESCCN(CC)CC(C)(C)C.CCOc1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C9H21N.C9H10O3.ClH/c1-6-10(7-2)8-9(3,4)5;1-2-12-8-5-3-7(4-6-8)9(10)11;/h6-8H2,1-5H3;3-6H,2H2,1H3,(H,10,11);1H
InChIKeyWIPWRAKUSCRBQW-UHFFFAOYSA-N
XLogP4.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
4-[[(4-ethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458588
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid
CID 61449179
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
4-[(dipropylamino)methoxy]benzoic acid
CID 20993709
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
(E)-3-(4-ethoxyphenyl)-4,4-dimethylpent-2-enoic acid
CID 82086838
2,5-bis(diethylaminomethyl)-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione
CID 3094843
ethane;4-octoxybenzoic acid
CID 144740890
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride?
The IUPAC name of N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride (CID 20976319) is N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride.
What is the SMILES notation for N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride?
The canonical SMILES for N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride is CCN(CC)CC(C)(C)C.CCOc1ccc(C(=O)O)cc1.Cl.
What is the InChIKey of N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride?
The InChIKey is WIPWRAKUSCRBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C9H10O3.ClH/c1-6-10(7-2)8-9(3,4)5;1-2-12-8-5-3-7(4-6-8)9(10)11;/h6-8H2,1-5H3;3-6H,2H2,1H3,(H,10,11);1H.
What are the key properties of N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride?
N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride is sourced from PubChem (CID 20976319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).