N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine

C18H30N2O — CID 63300831

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C(C)CCc1ccc(OC)cc1)C1CCNC1
InChIInChI=1S/C18H30N2O/c1-4-13-20(17-11-12-19-14-17)15(2)5-6-16-7-9-18(21-3)10-8-16/h7-10,15,17,19H,4-6,11-14H2,1-3H3
InChIKeyZUTKEPTWTGJUFN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds8

About N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine

N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine (PubChem CID 63300831) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
PubChem CID63300831
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C(C)CCc1ccc(OC)cc1)C1CCNC1
InChIInChI=1S/C18H30N2O/c1-4-13-20(17-11-12-19-14-17)15(2)5-6-16-7-9-18(21-3)10-8-16/h7-10,15,17,19H,4-6,11-14H2,1-3H3
InChIKeyZUTKEPTWTGJUFN-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
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-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine (CID 63300831) is N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine is CCCN(C(C)CCc1ccc(OC)cc1)C1CCNC1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine?
The InChIKey is ZUTKEPTWTGJUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-13-20(17-11-12-19-14-17)15(2)5-6-16-7-9-18(21-3)10-8-16/h7-10,15,17,19H,4-6,11-14H2,1-3H3.
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine?
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).