[3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine

C16H21N3O — CID 82037283

IUPAC[3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine
SMILESNCc1cccc(OC2CCCCC2n2ccnc2)c1
InChIInChI=1S/C16H21N3O/c17-11-13-4-3-5-14(10-13)20-16-7-2-1-6-15(16)19-9-8-18-12-19/h3-5,8-10,12,15-16H,1-2,6-7,11,17H2
InChIKeyJCQMBMXAKFSWSV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds4

About [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine

[3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine (PubChem CID 82037283) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine
PubChem CID82037283
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine
SMILESNCc1cccc(OC2CCCCC2n2ccnc2)c1
InChIInChI=1S/C16H21N3O/c17-11-13-4-3-5-14(10-13)20-16-7-2-1-6-15(16)19-9-8-18-12-19/h3-5,8-10,12,15-16H,1-2,6-7,11,17H2
InChIKeyJCQMBMXAKFSWSV-UHFFFAOYSA-N
XLogP2.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine (CID 82037283) is [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine is NCc1cccc(OC2CCCCC2n2ccnc2)c1.
What is the InChIKey of [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is JCQMBMXAKFSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-11-13-4-3-5-14(10-13)20-16-7-2-1-6-15(16)19-9-8-18-12-19/h3-5,8-10,12,15-16H,1-2,6-7,11,17H2.
What are the key properties of [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine?
[3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 82037283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).