1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine

C15H24N2O2 — CID 116936143

IUPAC1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
SMILESCOc1ccc(C(N)CC2CCNC2)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-10-14(18-2)5-4-12(15(10)19-3)13(16)8-11-6-7-17-9-11/h4-5,11,13,17H,6-9,16H2,1-3H3
InChIKeyNONVSLAWIXSLCB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.01
Rot. Bonds5

About 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine

1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine (PubChem CID 116936143) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
PubChem CID116936143
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
SMILESCOc1ccc(C(N)CC2CCNC2)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-10-14(18-2)5-4-12(15(10)19-3)13(16)8-11-6-7-17-9-11/h4-5,11,13,17H,6-9,16H2,1-3H3
InChIKeyNONVSLAWIXSLCB-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936145
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
CID 116936357
1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936466
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338
1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933582

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine (CID 116936143) is 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine is COc1ccc(C(N)CC2CCNC2)c(OC)c1C.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine?
The InChIKey is NONVSLAWIXSLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-14(18-2)5-4-12(15(10)19-3)13(16)8-11-6-7-17-9-11/h4-5,11,13,17H,6-9,16H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine?
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116936143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).