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

C16H26N2O — CID 112624390

IUPAC[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(N)C(c1ccccc1C)N1CCC(CO)C1
InChIInChI=1S/C16H26N2O/c1-3-15(17)16(14-7-5-4-6-12(14)2)18-9-8-13(10-18)11-19/h4-7,13,15-16,19H,3,8-11,17H2,1-2H3
InChIKeyHJNZMXCIELCVID-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.09
Rot. Bonds5

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

[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol (PubChem CID 112624390) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
PubChem CID112624390
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(N)C(c1ccccc1C)N1CCC(CO)C1
InChIInChI=1S/C16H26N2O/c1-3-15(17)16(14-7-5-4-6-12(14)2)18-9-8-13(10-18)11-19/h4-7,13,15-16,19H,3,8-11,17H2,1-2H3
InChIKeyHJNZMXCIELCVID-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-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
CID 102956236
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624411
2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932165
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol (CID 112624390) is [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol is CCC(N)C(c1ccccc1C)N1CCC(CO)C1.
What is the InChIKey of [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol?
The InChIKey is HJNZMXCIELCVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15(17)16(14-7-5-4-6-12(14)2)18-9-8-13(10-18)11-19/h4-7,13,15-16,19H,3,8-11,17H2,1-2H3.
What are the key properties of [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol?
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol 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 [1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).