1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine

C16H26N2O — CID 103975668

IUPAC1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccccc1CC(C)N1CCC(C(C)N)C1
InChIInChI=1S/C16H26N2O/c1-12(18-9-8-15(11-18)13(2)17)10-14-6-4-5-7-16(14)19-3/h4-7,12-13,15H,8-11,17H2,1-3H3
InChIKeyKWJQLNUVPSCRIT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds5

About 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975668) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
PubChem CID103975668
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccccc1CC(C)N1CCC(C(C)N)C1
InChIInChI=1S/C16H26N2O/c1-12(18-9-8-15(11-18)13(2)17)10-14-6-4-5-7-16(14)19-3/h4-7,12-13,15H,8-11,17H2,1-3H3
InChIKeyKWJQLNUVPSCRIT-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
2-(2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424370
1-[1-[1-(4-bromo-2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
CID 119034422
1-[1-[2-amino-1-(2-methoxyphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 115964958
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
[3-cyclopropyl-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 105289407
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine (CID 103975668) is 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine is COc1ccccc1CC(C)N1CCC(C(C)N)C1.
What is the InChIKey of 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
The InChIKey is KWJQLNUVPSCRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(18-9-8-15(11-18)13(2)17)10-14-6-4-5-7-16(14)19-3/h4-7,12-13,15H,8-11,17H2,1-3H3.
What are the key properties of 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).