cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine

C14H19F2NO2 — CID 57011853

IUPACcis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1ccc([C@@H]2CCCC[C@@H]2N)cc1OC(F)F
InChIInChI=1S/C14H19F2NO2/c1-18-12-7-6-9(8-13(12)19-14(15)16)10-4-2-3-5-11(10)17/h6-8,10-11,14H,2-5,17H2,1H3/t10-,11-/m0/s1
InChIKeyWMHTZYZLZSAEPR-QWRGUYRKSA-N
MW271.31 g/mol
LogP3.28
Rot. Bonds4

About cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine

cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine (PubChem CID 57011853) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine
PubChem CID57011853
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namecis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1ccc([C@@H]2CCCC[C@@H]2N)cc1OC(F)F
InChIInChI=1S/C14H19F2NO2/c1-18-12-7-6-9(8-13(12)19-14(15)16)10-4-2-3-5-11(10)17/h6-8,10-11,14H,2-5,17H2,1H3/t10-,11-/m0/s1
InChIKeyWMHTZYZLZSAEPR-QWRGUYRKSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
CID 58785260
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone
CID 43150284
2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 79509261
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine (CID 57011853) is cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine is COc1ccc([C@@H]2CCCC[C@@H]2N)cc1OC(F)F.
What is the InChIKey of cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
The InChIKey is WMHTZYZLZSAEPR-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-18-12-7-6-9(8-13(12)19-14(15)16)10-4-2-3-5-11(10)17/h6-8,10-11,14H,2-5,17H2,1H3/t10-,11-/m0/s1.
What are the key properties of cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine has a molecular weight of 271.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 57011853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).