2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride

C15H24Cl2N2O2 — CID 17215973

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
SMILESCCN1CCCC1CNCc1ccccc1C(=O)O.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-2-17-9-5-7-13(17)11-16-10-12-6-3-4-8-14(12)15(18)19;;/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3,(H,18,19);2*1H
InChIKeyHVERSBYVKWHLGU-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.80
Rot. Bonds6

About 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride

2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride (PubChem CID 17215973) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
PubChem CID17215973
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
SMILESCCN1CCCC1CNCc1ccccc1C(=O)O.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-2-17-9-5-7-13(17)11-16-10-12-6-3-4-8-14(12)15(18)19;;/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3,(H,18,19);2*1H
InChIKeyHVERSBYVKWHLGU-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine;oxalic acid
CID 17053126
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
1-(1-ethylpyrrolidin-2-yl)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine;dihydrochloride
CID 17213769
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
2-[2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986239
3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid
CID 6625254
1-(1-ethylpyrrolidin-2-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 43180690

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride (CID 17215973) is 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride is CCN1CCCC1CNCc1ccccc1C(=O)O.Cl.Cl.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride?
The InChIKey is HVERSBYVKWHLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.2ClH/c1-2-17-9-5-7-13(17)11-16-10-12-6-3-4-8-14(12)15(18)19;;/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3,(H,18,19);2*1H.
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride?
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride is sourced from PubChem (CID 17215973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).