N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

C18H30N2O — CID 63300783

IUPACN-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCOc1ccc(C(C)N(CCC)C2CCNC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-12-20(17-10-11-19-14-17)15(3)16-6-8-18(9-7-16)21-13-5-2/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyIJZFRTRZZOECJT-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds8

About N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300783) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID63300783
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCOc1ccc(C(C)N(CCC)C2CCNC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-12-20(17-10-11-19-14-17)15(3)16-6-8-18(9-7-16)21-13-5-2/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyIJZFRTRZZOECJT-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300570
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746
N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
CID 66183935

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (CID 63300783) is N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is CCCOc1ccc(C(C)N(CCC)C2CCNC2)cc1.
What is the InChIKey of N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is IJZFRTRZZOECJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-20(17-10-11-19-14-17)15(3)16-6-8-18(9-7-16)21-13-5-2/h6-9,15,17,19H,4-5,10-14H2,1-3H3.
What are the key properties of N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).