3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline

C14H22N2O — CID 81150809

IUPAC3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline
SMILESCOc1cc(N)cc(CN2CC(C)C(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-10-7-16(8-11(10)2)9-12-4-13(15)6-14(5-12)17-3/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyRWRFUURKKACBJY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.37
Rot. Bonds3

About 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline

3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline (PubChem CID 81150809) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline
PubChem CID81150809
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline
SMILESCOc1cc(N)cc(CN2CC(C)C(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-10-7-16(8-11(10)2)9-12-4-13(15)6-14(5-12)17-3/h4-6,10-11H,7-9,15H2,1-3H3
InChIKeyRWRFUURKKACBJY-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 81150460
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745
3-methoxy-5-[(4-methylsulfanylpiperidin-1-yl)methyl]aniline
CID 114236550
1-[(3-amino-5-methoxyphenyl)methyl]-4-methylpyrrolidin-2-one
CID 81150038
3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline
CID 81150307
4-[(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]morpholine
CID 124776966
5-[(3,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211187
3-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-methoxyaniline
CID 81144753
1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 81149958
3-[(4-tert-butylazepan-1-yl)methyl]-5-methoxyaniline
CID 81145134
ethyl 4-[(3-amino-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 107876878
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
CID 81150822

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline?
The IUPAC name of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline (CID 81150809) is 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline.
What is the SMILES notation for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline?
The canonical SMILES for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline is COc1cc(N)cc(CN2CC(C)C(C)C2)c1.
What is the InChIKey of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline?
The InChIKey is RWRFUURKKACBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-7-16(8-11(10)2)9-12-4-13(15)6-14(5-12)17-3/h4-6,10-11H,7-9,15H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline?
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline has a molecular weight of 234.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline is sourced from PubChem (CID 81150809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).