8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H25ClN2O — CID 114851448

IUPAC8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)NCc1ccc(Cl)cc1N1C2CCC1CC(O)C2
InChIInChI=1S/C17H25ClN2O/c1-11(2)19-10-12-3-4-13(18)7-17(12)20-14-5-6-15(20)9-16(21)8-14/h3-4,7,11,14-16,19,21H,5-6,8-10H2,1-2H3
InChIKeyIFVNUYZVCCZHHB-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.33
Rot. Bonds4

About 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 114851448) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID114851448
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)NCc1ccc(Cl)cc1N1C2CCC1CC(O)C2
InChIInChI=1S/C17H25ClN2O/c1-11(2)19-10-12-3-4-13(18)7-17(12)20-14-5-6-15(20)9-16(21)8-14/h3-4,7,11,14-16,19,21H,5-6,8-10H2,1-2H3
InChIKeyIFVNUYZVCCZHHB-UHFFFAOYSA-N
XLogP3.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763222
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114849158
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 114848744
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848729
N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114852030
1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 114847185
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854525
N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854107
8-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237604
N-[[4-chloro-2-(2,2-dimethylthiomorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 114853783

Frequently Asked Questions

What is the IUPAC name of 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 114851448) is 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(C)NCc1ccc(Cl)cc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IFVNUYZVCCZHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-11(2)19-10-12-3-4-13(18)7-17(12)20-14-5-6-15(20)9-16(21)8-14/h3-4,7,11,14-16,19,21H,5-6,8-10H2,1-2H3.
What are the key properties of 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 308.85 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 114851448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).