1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol

C14H22N2O — CID 103355396

IUPAC1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCc1ccc(C(CN)N2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11-3-5-12(6-4-11)13(9-15)16-8-7-14(2,17)10-16/h3-6,13,17H,7-10,15H2,1-2H3
InChIKeyNNYYGKGDSZVRKA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds3

About 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol

1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol (PubChem CID 103355396) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
PubChem CID103355396
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCc1ccc(C(CN)N2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11-3-5-12(6-4-11)13(9-15)16-8-7-14(2,17)10-16/h3-6,13,17H,7-10,15H2,1-2H3
InChIKeyNNYYGKGDSZVRKA-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317853
1-[2-amino-1-(4-chlorophenyl)ethyl]-4-methylazepan-4-ol
CID 107403850
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355424
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
CID 81097156
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 65065296
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol (CID 103355396) is 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol is Cc1ccc(C(CN)N2CCC(C)(O)C2)cc1.
What is the InChIKey of 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol?
The InChIKey is NNYYGKGDSZVRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-5-12(6-4-11)13(9-15)16-8-7-14(2,17)10-16/h3-6,13,17H,7-10,15H2,1-2H3.
What are the key properties of 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol?
1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).