8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H24N2O — CID 63762455

IUPAC8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H24N2O/c20-17-9-15-7-8-16(10-17)19(15)14-5-1-12(2-6-14)11-18-13-3-4-13/h1-2,5-6,13,15-18,20H,3-4,7-11H2
InChIKeyGUKPWEHQPFJEGQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.43
Rot. Bonds4

About 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63762455) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63762455
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H24N2O/c20-17-9-15-7-8-16(10-17)19(15)14-5-1-12(2-6-14)11-18-13-3-4-13/h1-2,5-6,13,15-18,20H,3-4,7-11H2
InChIKeyGUKPWEHQPFJEGQ-UHFFFAOYSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-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

4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762637
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961263
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63762455) is 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ccc(CNC2CC2)cc1.
What is the InChIKey of 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GUKPWEHQPFJEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17-9-15-7-8-16(10-17)19(15)14-5-1-12(2-6-14)11-18-13-3-4-13/h1-2,5-6,13,15-18,20H,3-4,7-11H2.
What are the key properties of 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 272.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(cyclopropylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63762455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).