2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide

C16H27N3O2 — CID 115505583

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(20-5)6-7-14(15)16(17)18/h6-7,10-12H,8-9H2,1-5H3,(H3,17,18)
InChIKeyRJFKXKKDNWTLSS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.48
Rot. Bonds8

About 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide

2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide (PubChem CID 115505583) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
PubChem CID115505583
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(20-5)6-7-14(15)16(17)18/h6-7,10-12H,8-9H2,1-5H3,(H3,17,18)
InChIKeyRJFKXKKDNWTLSS-UHFFFAOYSA-N
XLogP2.48
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.48
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-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854
2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide
CID 115505587
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776
4-methoxy-2-octan-2-yloxybenzenecarboximidamide
CID 81303227
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide (CID 115505583) is 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide?
The InChIKey is RJFKXKKDNWTLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(20-5)6-7-14(15)16(17)18/h6-7,10-12H,8-9H2,1-5H3,(H3,17,18).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide?
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide has a molecular weight of 293.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 115505583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).