cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine

C18H25N3O2 — CID 99856441

IUPACcis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine
SMILESCCc1nnc(CN[C@H]2CCCC[C@H]2Oc2ccccc2C)o1
InChIInChI=1S/C18H25N3O2/c1-3-17-20-21-18(23-17)12-19-14-9-5-7-11-16(14)22-15-10-6-4-8-13(15)2/h4,6,8,10,14,16,19H,3,5,7,9,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyXQRCHZITFCECNO-GOEBONIOSA-N
MW315.42 g/mol
LogP3.42
Rot. Bonds6

About cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine

cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine (PubChem CID 99856441) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine
PubChem CID99856441
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namecis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine
SMILESCCc1nnc(CN[C@H]2CCCC[C@H]2Oc2ccccc2C)o1
InChIInChI=1S/C18H25N3O2/c1-3-17-20-21-18(23-17)12-19-14-9-5-7-11-16(14)22-15-10-6-4-8-13(15)2/h4,6,8,10,14,16,19H,3,5,7,9,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyXQRCHZITFCECNO-GOEBONIOSA-N
XLogP3.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine with MolForge

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Related Compounds

cis-(1R,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 99856434
trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 99856435
2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
CID 107657388
1-methyl-2-(2-methylcyclohexyl)oxybenzene
CID 139448709
trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine
CID 99716150
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 99835495
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
CID 63474157
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]cyclohexyl]methanol
CID 104934517
2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
CID 63499440
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine (CID 99856441) is cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine is CCc1nnc(CN[C@H]2CCCC[C@H]2Oc2ccccc2C)o1.
What is the InChIKey of cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine?
The InChIKey is XQRCHZITFCECNO-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-17-20-21-18(23-17)12-19-14-9-5-7-11-16(14)22-15-10-6-4-8-13(15)2/h4,6,8,10,14,16,19H,3,5,7,9,11-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine?
cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine has a molecular weight of 315.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 99856441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).