N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide

C16H17N3O — CID 63590723

IUPACN-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide
SMILESNN/C(=N\c1ccccc1)C1COc2ccccc2C1
InChIInChI=1S/C16H17N3O/c17-19-16(18-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)20-11-13/h1-9,13H,10-11,17H2,(H,18,19)
InChIKeyLXJKUIMTUJCPDM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.43
Rot. Bonds2

About N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide

N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide (PubChem CID 63590723) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide
PubChem CID63590723
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide
SMILESNN/C(=N\c1ccccc1)C1COc2ccccc2C1
InChIInChI=1S/C16H17N3O/c17-19-16(18-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)20-11-13/h1-9,13H,10-11,17H2,(H,18,19)
InChIKeyLXJKUIMTUJCPDM-UHFFFAOYSA-N
XLogP2.43
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide
CID 63590190
N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide
CID 55213948
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide?
The IUPAC name of N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide (CID 63590723) is N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide?
The canonical SMILES for N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide is NN/C(=N\c1ccccc1)C1COc2ccccc2C1.
What is the InChIKey of N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide?
The InChIKey is LXJKUIMTUJCPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-19-16(18-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)20-11-13/h1-9,13H,10-11,17H2,(H,18,19).
What are the key properties of N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide?
N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide has a molecular weight of 267.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide is sourced from PubChem (CID 63590723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).