2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline

C14H22N2O2 — CID 117379645

IUPAC2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
SMILESCOc1cc(N(C)C)c(OC)cc1C1CCCN1
InChIInChI=1S/C14H22N2O2/c1-16(2)12-9-13(17-3)10(8-14(12)18-4)11-6-5-7-15-11/h8-9,11,15H,5-7H2,1-4H3
InChIKeyXZSWPTBVROZWRF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.19
Rot. Bonds4

About 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline

2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline (PubChem CID 117379645) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline.

Molecular Properties

Compound Name2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
PubChem CID117379645
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
SMILESCOc1cc(N(C)C)c(OC)cc1C1CCCN1
InChIInChI=1S/C14H22N2O2/c1-16(2)12-9-13(17-3)10(8-14(12)18-4)11-6-5-7-15-11/h8-9,11,15H,5-7H2,1-4H3
InChIKeyXZSWPTBVROZWRF-UHFFFAOYSA-N
XLogP2.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]pyrrolidine
CID 84701260
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 84701267
5-[4-(dimethylamino)-2,5-dimethoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117474882

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline?
The IUPAC name of 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline (CID 117379645) is 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline.
What is the SMILES notation for 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline?
The canonical SMILES for 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline is COc1cc(N(C)C)c(OC)cc1C1CCCN1.
What is the InChIKey of 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline?
The InChIKey is XZSWPTBVROZWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(2)12-9-13(17-3)10(8-14(12)18-4)11-6-5-7-15-11/h8-9,11,15H,5-7H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline?
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline has a molecular weight of 250.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline is sourced from PubChem (CID 117379645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).