N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

C14H22ClN3O2 — CID 119922075

IUPACN-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(C(C)c2ccccc2[N+](=O)[O-])C1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(16-8-7-12(10-16)9-15-2)13-5-3-4-6-14(13)17(18)19;/h3-6,11-12,15H,7-10H2,1-2H3;1H
InChIKeyFQGWHUGVXJUBNA-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119922075) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119922075
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(C(C)c2ccccc2[N+](=O)[O-])C1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(16-8-7-12(10-16)9-15-2)13-5-3-4-6-14(13)17(18)19;/h3-6,11-12,15H,7-10H2,1-2H3;1H
InChIKeyFQGWHUGVXJUBNA-UHFFFAOYSA-N
XLogP2.62
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,3-diol
CID 107711411
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
1-[1-[1-(2-nitrophenyl)ethyl]azetidin-3-yl]piperazine
CID 66201068
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine
CID 93464471
1-[1-[1-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512099
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,4-diol
CID 63263654
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119922213
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119922075) is N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is CNCC1CCN(C(C)c2ccccc2[N+](=O)[O-])C1.Cl.
What is the InChIKey of N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is FQGWHUGVXJUBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-11(16-8-7-12(10-16)9-15-2)13-5-3-4-6-14(13)17(18)19;/h3-6,11-12,15H,7-10H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119922075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).