N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride

C11H17ClN2 — CID 174970195

IUPACN-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
SMILESCNc1ccccc1N1CCCC1.Cl
InChIInChI=1S/C11H16N2.ClH/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13;/h2-3,6-7,12H,4-5,8-9H2,1H3;1H
InChIKeyUXSHLDIEGBZVKJ-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.75
Rot. Bonds2

About N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride

N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride (PubChem CID 174970195) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
PubChem CID174970195
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
SMILESCNc1ccccc1N1CCCC1.Cl
InChIInChI=1S/C11H16N2.ClH/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13;/h2-3,6-7,12H,4-5,8-9H2,1H3;1H
InChIKeyUXSHLDIEGBZVKJ-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144901042
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2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride?
The IUPAC name of N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride (CID 174970195) is N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride.
What is the SMILES notation for N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride?
The canonical SMILES for N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride is CNc1ccccc1N1CCCC1.Cl.
What is the InChIKey of N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride?
The InChIKey is UXSHLDIEGBZVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13;/h2-3,6-7,12H,4-5,8-9H2,1H3;1H.
What are the key properties of N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride?
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride is sourced from PubChem (CID 174970195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).