N-(2-phenylmethoxyethyl)quinazolin-4-amine

C17H17N3O — CID 12928829

IUPACN-(2-phenylmethoxyethyl)quinazolin-4-amine
SMILESc1ccc(COCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-2-6-14(7-3-1)12-21-11-10-18-17-15-8-4-5-9-16(15)19-13-20-17/h1-9,13H,10-12H2,(H,18,19,20)
InChIKeyTUENXMAJHUUVBX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds6

About N-(2-phenylmethoxyethyl)quinazolin-4-amine

N-(2-phenylmethoxyethyl)quinazolin-4-amine (PubChem CID 12928829) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)quinazolin-4-amine
PubChem CID12928829
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-phenylmethoxyethyl)quinazolin-4-amine
SMILESc1ccc(COCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-2-6-14(7-3-1)12-21-11-10-18-17-15-8-4-5-9-16(15)19-13-20-17/h1-9,13H,10-12H2,(H,18,19,20)
InChIKeyTUENXMAJHUUVBX-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67597997
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[2-(2,4-dichlorophenoxy)ethyl]quinazolin-4-amine
CID 12928809
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
CID 133444711
4-(3-phenylpropylamino)quinazolin-7-ol
CID 137026727
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)quinazolin-4-amine?
The IUPAC name of N-(2-phenylmethoxyethyl)quinazolin-4-amine (CID 12928829) is N-(2-phenylmethoxyethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-phenylmethoxyethyl)quinazolin-4-amine?
The canonical SMILES for N-(2-phenylmethoxyethyl)quinazolin-4-amine is c1ccc(COCCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)quinazolin-4-amine?
The InChIKey is TUENXMAJHUUVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-6-14(7-3-1)12-21-11-10-18-17-15-8-4-5-9-16(15)19-13-20-17/h1-9,13H,10-12H2,(H,18,19,20).
What are the key properties of N-(2-phenylmethoxyethyl)quinazolin-4-amine?
N-(2-phenylmethoxyethyl)quinazolin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)quinazolin-4-amine is sourced from PubChem (CID 12928829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).