1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine

C16H26N2O2 — CID 43555074

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C16H26N2O2/c1-4-8-17-14-7-9-18(12-14)11-13-5-6-15(19-2)16(10-13)20-3/h5-6,10,14,17H,4,7-9,11-12H2,1-3H3
InChIKeyAPBBAGAVGUAZKB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine

1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 43555074) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID43555074
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C16H26N2O2/c1-4-8-17-14-7-9-18(12-14)11-13-5-6-15(19-2)16(10-13)20-3/h5-6,10,14,17H,4,7-9,11-12H2,1-3H3
InChIKeyAPBBAGAVGUAZKB-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
N,1-bis[(3,4-diethoxyphenyl)methyl]pyrrolidin-3-amine
CID 18914019
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 115299969
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-one
CID 83980733
(3R,4R)-1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155492053
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
3-(2-chloroethyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine
CID 114800709
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
3,4-dimethoxybenzenethiol;1-(3,4-dimethoxyphenyl)sulfanyl-N-propylpyrrolidin-3-amine
CID 143573166

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine (CID 43555074) is 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine is CCCNC1CCN(Cc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is APBBAGAVGUAZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-8-17-14-7-9-18(12-14)11-13-5-6-15(19-2)16(10-13)20-3/h5-6,10,14,17H,4,7-9,11-12H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 43555074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).