5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline

C12H18N2O — CID 105459503

IUPAC5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
SMILESCOc1ccc(CC2CCNC2)c(N)c1
InChIInChI=1S/C12H18N2O/c1-15-11-3-2-10(12(13)7-11)6-9-4-5-14-8-9/h2-3,7,9,14H,4-6,8,13H2,1H3
InChIKeyJVDPRNIIVHEVDB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.43
Rot. Bonds3

About 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline

5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 105459503) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
PubChem CID105459503
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
SMILESCOc1ccc(CC2CCNC2)c(N)c1
InChIInChI=1S/C12H18N2O/c1-15-11-3-2-10(12(13)7-11)6-9-4-5-14-8-9/h2-3,7,9,14H,4-6,8,13H2,1H3
InChIKeyJVDPRNIIVHEVDB-UHFFFAOYSA-N
XLogP1.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline
CID 59353025
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117466204
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline (CID 105459503) is 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline is COc1ccc(CC2CCNC2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is JVDPRNIIVHEVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-11-3-2-10(12(13)7-11)6-9-4-5-14-8-9/h2-3,7,9,14H,4-6,8,13H2,1H3.
What are the key properties of 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline?
5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 206.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 105459503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).