3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline

C14H22N2O2 — CID 106637941

IUPAC3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOCCOc1cccc(NCC2CCCN2)c1
InChIInChI=1S/C14H22N2O2/c1-17-8-9-18-14-6-2-4-12(10-14)16-11-13-5-3-7-15-13/h2,4,6,10,13,15-16H,3,5,7-9,11H2,1H3
InChIKeyWQZRXEYHSJQLCQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds7

About 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline

3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106637941) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106637941
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOCCOc1cccc(NCC2CCCN2)c1
InChIInChI=1S/C14H22N2O2/c1-17-8-9-18-14-6-2-4-12(10-14)16-11-13-5-3-7-15-13/h2,4,6,10,13,15-16H,3,5,7-9,11H2,1H3
InChIKeyWQZRXEYHSJQLCQ-UHFFFAOYSA-N
XLogP1.88
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
3-(2-methoxyethoxy)-N-(thiolan-3-ylmethyl)aniline
CID 107131858
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline (CID 106637941) is 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline is COCCOc1cccc(NCC2CCCN2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is WQZRXEYHSJQLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-8-9-18-14-6-2-4-12(10-14)16-11-13-5-3-7-15-13/h2,4,6,10,13,15-16H,3,5,7-9,11H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 250.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106637941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).