2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine

C15H24N2O — CID 62497316

IUPAC2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCCCOc1cccc(C(CN)N2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-10-18-14-7-5-6-13(11-14)15(12-16)17-8-3-4-9-17/h5-7,11,15H,2-4,8-10,12,16H2,1H3
InChIKeyBAKBJVRYECVMKA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds6

About 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine

2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 62497316) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID62497316
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCCCOc1cccc(C(CN)N2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-10-18-14-7-5-6-13(11-14)15(12-16)17-8-3-4-9-17/h5-7,11,15H,2-4,8-10,12,16H2,1H3
InChIKeyBAKBJVRYECVMKA-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61212628
2-(3-ethoxyphenyl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419864
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
CID 20567191
2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
2-(4-methyl-1,4-diazepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61210753
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
2-(3-propoxyphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83973352
2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
CID 115526755

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine (CID 62497316) is 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine is CCCOc1cccc(C(CN)N2CCCC2)c1.
What is the InChIKey of 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is BAKBJVRYECVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-10-18-14-7-5-6-13(11-14)15(12-16)17-8-3-4-9-17/h5-7,11,15H,2-4,8-10,12,16H2,1H3.
What are the key properties of 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine?
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 62497316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).