1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol

C16H25NO — CID 11499753

IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol
SMILESCCCC(C(O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C16H25NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15-16,18H,3-6,11-12H2,1-2H3
InChIKeyNJZIWQLWRVISOP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol

1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol (PubChem CID 11499753) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol
PubChem CID11499753
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol
SMILESCCCC(C(O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C16H25NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15-16,18H,3-6,11-12H2,1-2H3
InChIKeyNJZIWQLWRVISOP-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol 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

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Ephedrine Hydrochloride
CID 65326
Pseudoephedrine Hydrochloride
CID 9581
DL-Ephedrine
CID 5032
N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
DL-Ephedrine hydrochloride
CID 8648
(-)-Pseudoephedrine
CID 62946
d-Ephedrine
CID 9457
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
CID 198190
Cinnamedrine
CID 5370611

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol (CID 11499753) is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol is CCCC(C(O)c1ccc(C)cc1)N1CCCC1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol?
The InChIKey is NJZIWQLWRVISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15-16,18H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol?
1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol is sourced from PubChem (CID 11499753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).