1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol

C14H22N2O — CID 62943393

IUPAC1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
SMILESCC(C)NCc1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)15-9-12-3-5-13(6-4-12)16-8-7-14(17)10-16/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyPUPBCFCULMSBJD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.76
Rot. Bonds4

About 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol

1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol (PubChem CID 62943393) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
PubChem CID62943393
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
SMILESCC(C)NCc1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)15-9-12-3-5-13(6-4-12)16-8-7-14(17)10-16/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyPUPBCFCULMSBJD-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-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

N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 84754741
1-[4-(ethoxymethyl)phenyl]pyrrolidin-3-ol
CID 102551317
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
1-phenylpyrrolidin-3-ol
CID 11171152
N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine
CID 106913336
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol (CID 62943393) is 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol is CC(C)NCc1ccc(N2CCC(O)C2)cc1.
What is the InChIKey of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol?
The InChIKey is PUPBCFCULMSBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)15-9-12-3-5-13(6-4-12)16-8-7-14(17)10-16/h3-6,11,14-15,17H,7-10H2,1-2H3.
What are the key properties of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol?
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).