Skip to content

Amprotropine

C18H29NO3 — CID 8645

💊View drug profile → amprotropine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate
SMILESCCN(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1
InChIInChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3
InChIKeyORXLOAFNULMXBG-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.67
Rot. Bonds9

About Amprotropine

Amprotropine (PubChem CID 8645) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound NameAmprotropine
PubChem CID8645
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate
SMILESCCN(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1
InChIInChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3
InChIKeyORXLOAFNULMXBG-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze Amprotropine 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

((1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Yl) (2R)-3-Hydroxy-2-Phenylpropanoate
CID 637577
Adiphenine
CID 2031
Cyclopentolate
CID 2905
(endo,Anti)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide
CID 657308
Cyclopentolate Hydrochloride
CID 22162
Caramiphen
CID 6472
Drofenine
CID 3166
Butamirate
CID 28892
Butetamate
CID 27368
Ipratropium
CID 657309

Frequently Asked Questions

What is the IUPAC name of Amprotropine?
The IUPAC name of Amprotropine (CID 8645) is [3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate.
What is the SMILES notation for Amprotropine?
The canonical SMILES for Amprotropine is CCN(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1.
What is the InChIKey of Amprotropine?
The InChIKey is ORXLOAFNULMXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3.
What are the key properties of Amprotropine?
Amprotropine has a molecular weight of 307.43 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Amprotropine is sourced from PubChem (CID 8645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: A · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.