3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

C15H24N2O2 — CID 115210196

IUPAC3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCOc1ccc(N(C)CCC2CCCN2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-17(10-8-12-5-4-9-16-12)13-6-7-14(18-2)15(11-13)19-3/h6-7,11-12,16H,4-5,8-10H2,1-3H3
InChIKeyJDPIHFARCNVMPX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds6

About 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline

3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (PubChem CID 115210196) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
PubChem CID115210196
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESCOc1ccc(N(C)CCC2CCCN2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-17(10-8-12-5-4-9-16-12)13-6-7-14(18-2)15(11-13)19-3/h6-7,11-12,16H,4-5,8-10H2,1-3H3
InChIKeyJDPIHFARCNVMPX-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210208
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210222
N-methyl-N-(2-pyrrolidin-2-ylethyl)-1H-pyrrol-3-amine
CID 115210229
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239
3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
CID 115238903
3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline
CID 67304202
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 79737443
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
3-methoxy-N,4-dimethyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187175
2-methoxy-N-methyl-N-(3-piperidin-2-ylpropyl)aniline
CID 62213433

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline (CID 115210196) is 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is COc1ccc(N(C)CCC2CCCN2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
The InChIKey is JDPIHFARCNVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(10-8-12-5-4-9-16-12)13-6-7-14(18-2)15(11-13)19-3/h6-7,11-12,16H,4-5,8-10H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline?
3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline has a molecular weight of 264.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline is sourced from PubChem (CID 115210196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).