1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine

C18H30N2O — CID 83218854

IUPAC1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1OC)N1C(C)CCC1CC
InChIInChI=1S/C18H30N2O/c1-5-14-12-11-13(3)20(14)18(16(19)6-2)15-9-7-8-10-17(15)21-4/h7-10,13-14,16,18H,5-6,11-12,19H2,1-4H3
InChIKeyLWGDNSOPZLTFPU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine

1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine (PubChem CID 83218854) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
PubChem CID83218854
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1OC)N1C(C)CCC1CC
InChIInChI=1S/C18H30N2O/c1-5-14-12-11-13(3)20(14)18(16(19)6-2)15-9-7-8-10-17(15)21-4/h7-10,13-14,16,18H,5-6,11-12,19H2,1-4H3
InChIKeyLWGDNSOPZLTFPU-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 62124586
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 83228040
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one
CID 83219274
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 55021696
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325944
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
CID 83220867
3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-1-ol
CID 114357593
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine (CID 83218854) is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine is CCC(N)C(c1ccccc1OC)N1C(C)CCC1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The InChIKey is LWGDNSOPZLTFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-14-12-11-13(3)20(14)18(16(19)6-2)15-9-7-8-10-17(15)21-4/h7-10,13-14,16,18H,5-6,11-12,19H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 83218854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).