N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

C17H28N2O2 — CID 63300614

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C17H28N2O2/c1-5-10-19(14-8-9-18-12-14)13(2)16-7-6-15(20-3)11-17(16)21-4/h6-7,11,13-14,18H,5,8-10,12H2,1-4H3
InChIKeyAVNVBDNNENGVSU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300614) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID63300614
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C17H28N2O2/c1-5-10-19(14-8-9-18-12-14)13(2)16-7-6-15(20-3)11-17(16)21-4/h6-7,11,13-14,18H,5,8-10,12H2,1-4H3
InChIKeyAVNVBDNNENGVSU-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636897
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (CID 63300614) is N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is CCCN(C1CCNC1)C(C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is AVNVBDNNENGVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-10-19(14-8-9-18-12-14)13(2)16-7-6-15(20-3)11-17(16)21-4/h6-7,11,13-14,18H,5,8-10,12H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).