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

C16H26N2O — CID 114797124

IUPAC2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1C(C(C)N)N1CCC(CCO)C1
InChIInChI=1S/C16H26N2O/c1-12-5-3-4-6-15(12)16(13(2)17)18-9-7-14(11-18)8-10-19/h3-6,13-14,16,19H,7-11,17H2,1-2H3
InChIKeyCBYAMWOMYMYFFP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.09
Rot. Bonds5

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

2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 114797124) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
PubChem CID114797124
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1C(C(C)N)N1CCC(CCO)C1
InChIInChI=1S/C16H26N2O/c1-12-5-3-4-6-15(12)16(13(2)17)18-9-7-14(11-18)8-10-19/h3-6,13-14,16,19H,7-11,17H2,1-2H3
InChIKeyCBYAMWOMYMYFFP-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576
2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
1-[2-amino-1-(2-methylphenyl)propyl]piperidin-4-ol
CID 55017840
1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018369
2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
CID 107227144
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)propan-2-amine
CID 79916945
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 99847607
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol (CID 114797124) is 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol is Cc1ccccc1C(C(C)N)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is CBYAMWOMYMYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-3-4-6-15(12)16(13(2)17)18-9-7-14(11-18)8-10-19/h3-6,13-14,16,19H,7-11,17H2,1-2H3.
What are the key properties of 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).