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

C16H26N2O — CID 112624576

IUPAC1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1C(C(C)N)N1CCC(C(C)O)C1
InChIInChI=1S/C16H26N2O/c1-11-6-4-5-7-15(11)16(12(2)17)18-9-8-14(10-18)13(3)19/h4-7,12-14,16,19H,8-10,17H2,1-3H3
InChIKeyQGTDTQOBLQVZOA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.09
Rot. Bonds4

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

1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624576) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
PubChem CID112624576
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccccc1C(C(C)N)N1CCC(C(C)O)C1
InChIInChI=1S/C16H26N2O/c1-11-6-4-5-7-15(11)16(12(2)17)18-9-8-14(10-18)13(3)19/h4-7,12-14,16,19H,8-10,17H2,1-3H3
InChIKeyQGTDTQOBLQVZOA-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-amino-1-(2-methoxyphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 115964958
1-[2-amino-1-(2-methylphenyl)propyl]piperidin-4-ol
CID 55017840
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018369
1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
CID 112624537
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
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
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095530

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol (CID 112624576) is 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol is Cc1ccccc1C(C(C)N)N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is QGTDTQOBLQVZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-6-4-5-7-15(11)16(12(2)17)18-9-8-14(10-18)13(3)19/h4-7,12-14,16,19H,8-10,17H2,1-3H3.
What are the key properties of 1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.09, 4 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-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).