N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine

C16H21N3O — CID 63098127

IUPACN-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine
SMILESc1ccc(-c2nccn2CCNC2CCOCC2)cc1
InChIInChI=1S/C16H21N3O/c1-2-4-14(5-3-1)16-18-9-11-19(16)10-8-17-15-6-12-20-13-7-15/h1-5,9,11,15,17H,6-8,10,12-13H2
InChIKeyZVZRTADSLQKQKB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine

N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine (PubChem CID 63098127) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine
PubChem CID63098127
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine
SMILESc1ccc(-c2nccn2CCNC2CCOCC2)cc1
InChIInChI=1S/C16H21N3O/c1-2-4-14(5-3-1)16-18-9-11-19(16)10-8-17-15-6-12-20-13-7-15/h1-5,9,11,15,17H,6-8,10,12-13H2
InChIKeyZVZRTADSLQKQKB-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 30876772
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline
CID 62565112
2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
CID 55088185
1-(oxiran-2-ylmethyl)-2-phenylimidazole
CID 61071224
4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 155912859
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
1-but-3-ynyl-2-phenylimidazole
CID 55249657
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine (CID 63098127) is N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine is c1ccc(-c2nccn2CCNC2CCOCC2)cc1.
What is the InChIKey of N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine?
The InChIKey is ZVZRTADSLQKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-4-14(5-3-1)16-18-9-11-19(16)10-8-17-15-6-12-20-13-7-15/h1-5,9,11,15,17H,6-8,10,12-13H2.
What are the key properties of N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine?
N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 63098127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).