2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide

C16H25N3O2 — CID 81299918

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C16H25N3O2/c1-11(12-4-5-12)19(8-9-20-2)15-10-13(21-3)6-7-14(15)16(17)18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H3,17,18)
InChIKeyKBAXBLRUNJGYPM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.23
Rot. Bonds8

About 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide

2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide (PubChem CID 81299918) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
PubChem CID81299918
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C16H25N3O2/c1-11(12-4-5-12)19(8-9-20-2)15-10-13(21-3)6-7-14(15)16(17)18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H3,17,18)
InChIKeyKBAXBLRUNJGYPM-UHFFFAOYSA-N
XLogP2.23
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 114892966
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801
2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 63092339
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide (CID 81299918) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(CCOC)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide?
The InChIKey is KBAXBLRUNJGYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(12-4-5-12)19(8-9-20-2)15-10-13(21-3)6-7-14(15)16(17)18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H3,17,18).
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81299918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).