2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide

C11H17N3O — CID 62334639

IUPAC2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)CC(C)O
InChIInChI=1S/C11H17N3O/c1-8(15)7-14(2)10-6-4-3-5-9(10)11(12)13/h3-6,8,15H,7H2,1-2H3,(H3,12,13)
InChIKeyBSJUZIGJPKYJTO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.79
Rot. Bonds4

About 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide

2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide (PubChem CID 62334639) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
PubChem CID62334639
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)CC(C)O
InChIInChI=1S/C11H17N3O/c1-8(15)7-14(2)10-6-4-3-5-9(10)11(12)13/h3-6,8,15H,7H2,1-2H3,(H3,12,13)
InChIKeyBSJUZIGJPKYJTO-UHFFFAOYSA-N
XLogP0.79
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
CID 43572161
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide (CID 62334639) is 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)CC(C)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide?
The InChIKey is BSJUZIGJPKYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(15)7-14(2)10-6-4-3-5-9(10)11(12)13/h3-6,8,15H,7H2,1-2H3,(H3,12,13).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide?
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide has a molecular weight of 207.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62334639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).