1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine

C15H24N2O — CID 62068872

IUPAC1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCCCOc1ccc(C(C)N2CCC(N)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-10-18-15-6-4-13(5-7-15)12(2)17-9-8-14(16)11-17/h4-7,12,14H,3,8-11,16H2,1-2H3
InChIKeyYWKYCXLGQQEJQK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds5

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

1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 62068872) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine
PubChem CID62068872
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCCCOc1ccc(C(C)N2CCC(N)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-10-18-15-6-4-13(5-7-15)12(2)17-9-8-14(16)11-17/h4-7,12,14H,3,8-11,16H2,1-2H3
InChIKeyYWKYCXLGQQEJQK-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propoxyphenyl)pyrrolidin-3-amine
CID 62329191
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
CID 65245145
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066703
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
CID 99808583
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
4-(bromomethyl)-1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-2-one
CID 168503312

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine (CID 62068872) is 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine is CCCOc1ccc(C(C)N2CCC(N)C2)cc1.
What is the InChIKey of 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is YWKYCXLGQQEJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-10-18-15-6-4-13(5-7-15)12(2)17-9-8-14(16)11-17/h4-7,12,14H,3,8-11,16H2,1-2H3.
What are the key properties of 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine?
1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 62068872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).