(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine

C14H22N2O — CID 116935549

IUPAC(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1c(C)cc(C)cc1C(N)C1CCNC1
InChIInChI=1S/C14H22N2O/c1-9-6-10(2)14(17-3)12(7-9)13(15)11-4-5-16-8-11/h6-7,11,13,16H,4-5,8,15H2,1-3H3
InChIKeyWXOWJWFSCIIQNY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.92
Rot. Bonds3

About (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine

(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine (PubChem CID 116935549) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
PubChem CID116935549
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1c(C)cc(C)cc1C(N)C1CCNC1
InChIInChI=1S/C14H22N2O/c1-9-6-10(2)14(17-3)12(7-9)13(15)11-4-5-16-8-11/h6-7,11,13,16H,4-5,8,15H2,1-3H3
InChIKeyWXOWJWFSCIIQNY-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951284
(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935595
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
CID 116935781
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935509
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
CID 116935922
3-(2,4,6-trimethylphenoxy)pyrrolidine
CID 83532626
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The IUPAC name of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine (CID 116935549) is (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The canonical SMILES for (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine is COc1c(C)cc(C)cc1C(N)C1CCNC1.
What is the InChIKey of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The InChIKey is WXOWJWFSCIIQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-6-10(2)14(17-3)12(7-9)13(15)11-4-5-16-8-11/h6-7,11,13,16H,4-5,8,15H2,1-3H3.
What are the key properties of (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116935549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).