1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol

C17H28N2O — CID 115964975

IUPAC1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1ccc(C)cc1)N1CCC(C(C)O)C1
InChIInChI=1S/C17H28N2O/c1-4-16(18)17(14-7-5-12(2)6-8-14)19-10-9-15(11-19)13(3)20/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3
InChIKeyDRNGYMQEMZOENN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.48
Rot. Bonds5

About 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol

1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol (PubChem CID 115964975) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
PubChem CID115964975
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1ccc(C)cc1)N1CCC(C(C)O)C1
InChIInChI=1S/C17H28N2O/c1-4-16(18)17(14-7-5-12(2)6-8-14)19-10-9-15(11-19)13(3)20/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3
InChIKeyDRNGYMQEMZOENN-UHFFFAOYSA-N
XLogP2.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
CID 55016632
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
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-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964938
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine
CID 63603967
1-(4-methylphenyl)-1-piperidin-1-ylbutan-2-amine
CID 55016527
1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
CID 112624601
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol (CID 115964975) is 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol is CCC(N)C(c1ccc(C)cc1)N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DRNGYMQEMZOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-16(18)17(14-7-5-12(2)6-8-14)19-10-9-15(11-19)13(3)20/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3.
What are the key properties of 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115964975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).