1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine

C16H26N2O2 — CID 103575485

IUPAC1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
SMILESCOc1ccc(CC(C)N2CC(C)C(N)C2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-11-9-18(10-14(11)17)12(2)7-13-5-6-15(19-3)16(8-13)20-4/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3
InChIKeyRZXCAIHNZANBBJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.91
Rot. Bonds5

About 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine

1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine (PubChem CID 103575485) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
PubChem CID103575485
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
SMILESCOc1ccc(CC(C)N2CC(C)C(N)C2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-11-9-18(10-14(11)17)12(2)7-13-5-6-15(19-3)16(8-13)20-4/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3
InChIKeyRZXCAIHNZANBBJ-UHFFFAOYSA-N
XLogP1.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
(3S,4R)-1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrrolidin-3-amine
CID 110224314
4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
CID 30982621
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
CID 2846456
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine
CID 10134641
ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
CID 23960975
1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine
CID 79986496
1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909204
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine (CID 103575485) is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine is COc1ccc(CC(C)N2CC(C)C(N)C2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine?
The InChIKey is RZXCAIHNZANBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-9-18(10-14(11)17)12(2)7-13-5-6-15(19-3)16(8-13)20-4/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine?
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).