3-bromo-N'-propan-2-yloxybenzenecarboximidamide

C10H13BrN2O — CID 82482830

IUPAC3-bromo-N'-propan-2-yloxybenzenecarboximidamide
SMILESCC(C)O/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7(2)14-13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyDKVCSCOJOAOVNX-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.49
Rot. Bonds3

About 3-bromo-N'-propan-2-yloxybenzenecarboximidamide

3-bromo-N'-propan-2-yloxybenzenecarboximidamide (PubChem CID 82482830) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-bromo-N'-propan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-propan-2-yloxybenzenecarboximidamide
PubChem CID82482830
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-bromo-N'-propan-2-yloxybenzenecarboximidamide
SMILESCC(C)O/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7(2)14-13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyDKVCSCOJOAOVNX-UHFFFAOYSA-N
XLogP2.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
N'-amino-3-bromobenzenecarboximidamide
CID 83534045
3-bromo-N'-propylbenzenecarboximidamide
CID 62049964
[[amino-(3-bromophenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 4618760
[(Z)-[amino(phenyl)methylidene]amino] 3-bromobenzoate
CID 5332729
[[amino-(3-bromophenyl)methylidene]amino] 2-(2-methoxyphenoxy)acetate
CID 3880243
[[amino-(3-bromophenyl)methylidene]amino] 2-(4-phenylphenyl)acetate
CID 3909201
[[amino-(3-bromophenyl)methylidene]amino] 1,3-benzodioxole-5-carboxylate
CID 2977043
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573
N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide
CID 121409859
3-bromo-N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]benzamide
CID 76932708
1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene
CID 15456668

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-propan-2-yloxybenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-propan-2-yloxybenzenecarboximidamide (CID 82482830) is 3-bromo-N'-propan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-propan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-propan-2-yloxybenzenecarboximidamide is CC(C)O/N=C(\N)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-propan-2-yloxybenzenecarboximidamide?
The InChIKey is DKVCSCOJOAOVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7(2)14-13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 3-bromo-N'-propan-2-yloxybenzenecarboximidamide?
3-bromo-N'-propan-2-yloxybenzenecarboximidamide has a molecular weight of 257.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-propan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 82482830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).