2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide

C15H23N3O2 — CID 81302532

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCC1CCCO
InChIInChI=1S/C15H23N3O2/c1-20-12-6-7-13(15(16)17)14(10-12)18-8-2-4-11(18)5-3-9-19/h6-7,10-11,19H,2-5,8-9H2,1H3,(H3,16,17)
InChIKeyFJIYPMFJMANKGI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds6

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide (PubChem CID 81302532) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
PubChem CID81302532
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCC1CCCO
InChIInChI=1S/C15H23N3O2/c1-20-12-6-7-13(15(16)17)14(10-12)18-8-2-4-11(18)5-3-9-19/h6-7,10-11,19H,2-5,8-9H2,1H3,(H3,16,17)
InChIKeyFJIYPMFJMANKGI-UHFFFAOYSA-N
XLogP1.72
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide 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

2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118
2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303122
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 55075927
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848
5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
CID 62925971
3,5-difluoro-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 81293355
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methoxybenzenecarbothioamide
CID 81305590
4-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 81299929
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide (CID 81302532) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide?
The InChIKey is FJIYPMFJMANKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-12-6-7-13(15(16)17)14(10-12)18-8-2-4-11(18)5-3-9-19/h6-7,10-11,19H,2-5,8-9H2,1H3,(H3,16,17).
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).