1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine

C15H24N2O2 — CID 116936006

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
SMILESCOc1cc(C)c(C(N)CC2CCCN2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-10-7-14(18-2)15(19-3)9-12(10)13(16)8-11-5-4-6-17-11/h7,9,11,13,17H,4-6,8,16H2,1-3H3
InChIKeyJXLJRKOTUIBMBD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine

1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine (PubChem CID 116936006) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
PubChem CID116936006
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
SMILESCOc1cc(C)c(C(N)CC2CCCN2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-10-7-14(18-2)15(19-3)9-12(10)13(16)8-11-5-4-6-17-11/h7,9,11,13,17H,4-6,8,16H2,1-3H3
InChIKeyJXLJRKOTUIBMBD-UHFFFAOYSA-N
XLogP2.15
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
CID 116935969
1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936466
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
CID 116936357
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
CID 82299044
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116906674
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
5-chloro-4-methoxy-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210121
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951457
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine (CID 116936006) is 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine is COc1cc(C)c(C(N)CC2CCCN2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine?
The InChIKey is JXLJRKOTUIBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-14(18-2)15(19-3)9-12(10)13(16)8-11-5-4-6-17-11/h7,9,11,13,17H,4-6,8,16H2,1-3H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine?
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116936006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).