N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine

C17H18N4 — CID 60894206

IUPACN-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
SMILESCCN(Cc1ccccc1N)c1ncnc2ccccc12
InChIInChI=1S/C17H18N4/c1-2-21(11-13-7-3-5-9-15(13)18)17-14-8-4-6-10-16(14)19-12-20-17/h3-10,12H,2,11,18H2,1H3
InChIKeyIVMWYNIVRZGOHK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.24
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine

N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine (PubChem CID 60894206) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
PubChem CID60894206
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
SMILESCCN(Cc1ccccc1N)c1ncnc2ccccc12
InChIInChI=1S/C17H18N4/c1-2-21(11-13-7-3-5-9-15(13)18)17-14-8-4-6-10-16(14)19-12-20-17/h3-10,12H,2,11,18H2,1H3
InChIKeyIVMWYNIVRZGOHK-UHFFFAOYSA-N
XLogP3.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18590526
N-[(2-aminophenyl)methyl]-N-ethylquinolin-2-amine
CID 60875708
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 60875517
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine (CID 60894206) is N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine is CCN(Cc1ccccc1N)c1ncnc2ccccc12.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine?
The InChIKey is IVMWYNIVRZGOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-21(11-13-7-3-5-9-15(13)18)17-14-8-4-6-10-16(14)19-12-20-17/h3-10,12H,2,11,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine?
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine is sourced from PubChem (CID 60894206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).