N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

C16H26N2O — CID 63300912

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccccc1OC
InChIInChI=1S/C16H26N2O/c1-4-11-18(14-9-10-17-12-14)13(2)15-7-5-6-8-16(15)19-3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyGDQYOOGJIRENRO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300912) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID63300912
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccccc1OC
InChIInChI=1S/C16H26N2O/c1-4-11-18(14-9-10-17-12-14)13(2)15-7-5-6-8-16(15)19-3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyGDQYOOGJIRENRO-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614
N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636897
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine
CID 66183932
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
N-(3-methyl-1-phenylbutyl)-N-propylpyrrolidin-3-amine
CID 63300659
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (CID 63300912) is N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is CCCN(C1CCNC1)C(C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is GDQYOOGJIRENRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-11-18(14-9-10-17-12-14)13(2)15-7-5-6-8-16(15)19-3/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).