cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine

C18H25FN4O — CID 124855195

IUPACcis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
SMILESCc1cccc(O[C@@H]2CCCC[C@@H]2NCc2ncnn2CCF)c1
InChIInChI=1S/C18H25FN4O/c1-14-5-4-6-15(11-14)24-17-8-3-2-7-16(17)20-12-18-21-13-22-23(18)10-9-19/h4-6,11,13,16-17,20H,2-3,7-10,12H2,1H3/t16-,17+/m0/s1
InChIKeyYSYKSEURZJDQDE-DLBZAZTESA-N
MW332.42 g/mol
LogP3.04
Rot. Bonds7

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

cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine (PubChem CID 124855195) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
PubChem CID124855195
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Namecis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
SMILESCc1cccc(O[C@@H]2CCCC[C@@H]2NCc2ncnn2CCF)c1
InChIInChI=1S/C18H25FN4O/c1-14-5-4-6-15(11-14)24-17-8-3-2-7-16(17)20-12-18-21-13-22-23(18)10-9-19/h4-6,11,13,16-17,20H,2-3,7-10,12H2,1H3/t16-,17+/m0/s1
InChIKeyYSYKSEURZJDQDE-DLBZAZTESA-N
XLogP3.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 124889364
N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 167754397
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
CID 63474204
2-(chloromethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 106364982
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
(3-methylphenoxy)cyclononane
CID 145391482
4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162519
2,2-dimethyl-6-(3-methylphenoxy)cyclohexan-1-amine
CID 79835658
2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
CID 63475423

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine (CID 124855195) is cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine is Cc1cccc(O[C@@H]2CCCC[C@@H]2NCc2ncnn2CCF)c1.
What is the InChIKey of cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
The InChIKey is YSYKSEURZJDQDE-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25FN4O/c1-14-5-4-6-15(11-14)24-17-8-3-2-7-16(17)20-12-18-21-13-22-23(18)10-9-19/h4-6,11,13,16-17,20H,2-3,7-10,12H2,1H3/t16-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine?
cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine has a molecular weight of 332.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 124855195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).