1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol

C17H28N2O2 — CID 115964938

IUPAC1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1cccc(OC)c1)N1CCC(C(C)O)C1
InChIInChI=1S/C17H28N2O2/c1-4-16(18)17(13-6-5-7-15(10-13)21-3)19-9-8-14(11-19)12(2)20/h5-7,10,12,14,16-17,20H,4,8-9,11,18H2,1-3H3
InChIKeyGMZJQLZPLTWQNZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.18
Rot. Bonds6

About 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol

1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol (PubChem CID 115964938) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
PubChem CID115964938
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1cccc(OC)c1)N1CCC(C(C)O)C1
InChIInChI=1S/C17H28N2O2/c1-4-16(18)17(13-6-5-7-15(10-13)21-3)19-9-8-14(11-19)12(2)20/h5-7,10,12,14,16-17,20H,4,8-9,11,18H2,1-3H3
InChIKeyGMZJQLZPLTWQNZ-UHFFFAOYSA-N
XLogP2.18
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
CID 106667955
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
1-(3-methoxyphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987584
1-[1-[2-amino-1-(2-methoxyphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 115964958
1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
CID 106835579
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166544
1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
CID 112624601
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320
1-(3-methoxyphenyl)-1-(1,2,4-triazol-1-yl)butan-2-amine
CID 55018404

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol (CID 115964938) is 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol is CCC(N)C(c1cccc(OC)c1)N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol?
The InChIKey is GMZJQLZPLTWQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-16(18)17(13-6-5-7-15(10-13)21-3)19-9-8-14(11-19)12(2)20/h5-7,10,12,14,16-17,20H,4,8-9,11,18H2,1-3H3.
What are the key properties of 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol has a molecular weight of 292.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115964938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).