[(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide

C13H18ClFNO- — CID 153372396

IUPAC[(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide
SMILESCOC[C@H]([NH-])CCCc1cc(C)c(F)c(Cl)c1
InChIInChI=1S/C13H18ClFNO/c1-9-6-10(7-12(14)13(9)15)4-3-5-11(16)8-17-2/h6-7,11,16H,3-5,8H2,1-2H3/q-1/t11-/m1/s1
InChIKeySOPQSQNXHOIEPS-LLVKDONJSA-N
MW258.74 g/mol
LogP4.18
Rot. Bonds6

About [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide

[(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide (PubChem CID 153372396) has the molecular formula C13H18ClFNO- and a molecular weight of 258.74 g/mol. Its IUPAC name is [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide.

Molecular Properties

Compound Name[(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide
PubChem CID153372396
Molecular FormulaC13H18ClFNO-
Molecular Weight258.74 g/mol
Exact Mass258.11
IUPAC Name[(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide
SMILESCOC[C@H]([NH-])CCCc1cc(C)c(F)c(Cl)c1
InChIInChI=1S/C13H18ClFNO/c1-9-6-10(7-12(14)13(9)15)4-3-5-11(16)8-17-2/h6-7,11,16H,3-5,8H2,1-2H3/q-1/t11-/m1/s1
InChIKeySOPQSQNXHOIEPS-LLVKDONJSA-N
XLogP4.18
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide
CID 145398253
1-chloro-2-fluoro-5-[(4R)-5-fluoro-4-methylpentyl]-3-propan-2-ylbenzene
CID 162179859
1-chloro-5-(2-cyclobutylethyl)-2-fluoro-3-methylbenzene
CID 134389889
1-chloro-3-ethynyl-2-fluoro-5-[(4R)-5-fluoro-4-methylpentyl]benzene
CID 134402735
(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine
CID 146212837
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine
CID 139310728
1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
CID 83928598
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane
CID 177363709

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide?
The IUPAC name of [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide (CID 153372396) is [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide.
What is the SMILES notation for [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide?
The canonical SMILES for [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide is COC[C@H]([NH-])CCCc1cc(C)c(F)c(Cl)c1.
What is the InChIKey of [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide?
The InChIKey is SOPQSQNXHOIEPS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18ClFNO/c1-9-6-10(7-12(14)13(9)15)4-3-5-11(16)8-17-2/h6-7,11,16H,3-5,8H2,1-2H3/q-1/t11-/m1/s1.
What are the key properties of [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide?
[(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide has a molecular weight of 258.74 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(3-chloro-4-fluoro-5-methylphenyl)-1-methoxypentan-2-yl]azanide is sourced from PubChem (CID 153372396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).